Geometry & MOs

Info

ID:

191094

PubChem CID:

78103082

Reduced:

F3N17O17C75H126 (1)

Stoich.:

A3B17C17D75E126 (1)

Weight, g/mol:

378.049523

ΔHf, kcal/mol:

-981.94

Dipole, Da:

14.48

IP(EA), eV:

 -9.3(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-(6-chloropyridin-3-yl)-5-(2,2,2-trifluoroethyl)-7H-pyrazolo[4,3-c]quinolin-4-one

Drug info:

PubChemData

Smile

CC(C)CC1C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)N2CCCC2C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NC(C(=O)NCC3C(CC(O3)C(=O)N1)O)C(C)C)CCCN)CC(C)C)CCCN)C(C)C)CC4=CC=CC=C4)CC(C)C)CCCN)C(C)C)CCCN.C(=O)(C(F)(F)F)O

DOS

IR

Vibrations