Geometry & MOs

Info

ID:

234143

PubChem CID:

92297811

Reduced:

ON3C16H17 (2)

Stoich.:

AB3C16D17 (2)

Weight, g/mol:

538.249252

ΔHf, kcal/mol:

57.12

Dipole, Da:

5.82

IP(EA), eV:

 -9.2(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(R)-[benzyl-[(4-fluorophenyl)methyl]amino]-[1-[[(2S)-oxolan-2-yl]methyl]tetrazol-5-yl]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(CCC5=CC=CC=C5)CC6=CC=CC=C6

DOS

IR

Vibrations