Geometry & MOs

Info

ID:

234119

PubChem CID:

92297769

Reduced:

O2N7C31H33 (1)

Stoich.:

A2B7C31D33 (1)

Weight, g/mol:

540.230745

ΔHf, kcal/mol:

67.93

Dipole, Da:

2.26

IP(EA), eV:

 -8.75(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-methyl-3-[(S)-[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]-[2-phenylethyl(thiophen-2-ylmethyl)amino]methyl]-1H-quinolin-2-one

Drug info:

PubChemData

Smile

CC1=C2C(=CC=C1)C=C(C(=O)N2)[C@H](C3=NN=NN3C4CCCC4)N(CC5=CC=C(C=C5)OC)CC6=CN=CC=C6

DOS

IR

Vibrations