Geometry & MOs

Info

ID:

234118

PubChem CID:

92297765

Reduced:

ClO3N6C29H29 (1)

Stoich.:

AB3C6D29E29 (1)

Weight, g/mol:

535.269573

ΔHf, kcal/mol:

24.42

Dipole, Da:

5.93

IP(EA), eV:

 -9.05(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(R)-(1-cyclopentyltetrazol-5-yl)-[(4-methoxyphenyl)methyl-(pyridin-3-ylmethyl)amino]methyl]-8-methyl-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C=C(C(=O)N2)[C@@H](C3=NN=NN3C[C@@H]4CCCO4)N(CC5=CC=C(C=C5)Cl)CC6=CC=CO6

DOS

IR

Vibrations