Geometry & MOs

Info

ID:

179020

PubChem CID:

76420558

Reduced:

O13N14C38H64 (1)

Stoich.:

A13B14C38D64 (1)

Weight, g/mol:

489.193153

ΔHf, kcal/mol:

-587.12

Dipole, Da:

9.96

IP(EA), eV:

 -9.3(-0.23)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-chloro-4-[3-cyclopentyl-7-(3-hydroxypyrrolidine-1-carbonyl)-3,3a,4,5-tetrahydropyrazolo[3,4-f]quinolin-2-yl]benzonitrile

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC(=O)O)C(=O)NCC(=O)NC(CO)C(=O)NC(CC(C)C)C(=O)O)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CN=CN1)NC(=O)C(CCC(=O)N)N

DOS

IR

Vibrations