Geometry & MOs

Info

ID:

234108

PubChem CID:

92297747

Reduced:

ON6C34H40 (1)

Stoich.:

AB6C34D40 (1)

Weight, g/mol:

536.269988

ΔHf, kcal/mol:

63.28

Dipole, Da:

5.95

IP(EA), eV:

 -9.05(-1.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(S)-(1-cyclopentyltetrazol-5-yl)-[(4-fluorophenyl)methyl-(2-phenylethyl)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)(C)C)N(CC4=CC=CC=C4)CC5=CC=C(C=C5)C(C)(C)C

DOS

IR

Vibrations