Geometry & MOs

Info

ID:

176342

PubChem CID:

76035198

Reduced:

N3O4C16H21 (4)

Stoich.:

A3B4C16D21 (4)

Weight, g/mol:

523.238353

ΔHf, kcal/mol:

-686.63

Dipole, Da:

5.67

IP(EA), eV:

 -8.99(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-4-[2-[5-(3-fluorophenyl)pyridin-2-yl]ethenyl]-5-oxo-7-propan-2-yl-2,6,7,8-tetrahydropyrazolo[3,4-b]quinoline-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(C)C(=O)NC(CC1=CC=CC=C1)C(=O)N2CCCC2C(=O)NC(CC3=CC=C(C=C3)O)C(=O)NC(C(C)O)C(=O)NC(CC4=CC=CC=C4)C(=O)O)NC(=O)C(CC5=CC=C(C=C5)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)N

DOS

IR

Vibrations