Geometry & MOs

Info

ID:

449280

PubChem CID:

135297339

Reduced:

N3H31C47 (1)

Stoich.:

A3B31C47 (1)

Weight, g/mol:

494.249333

ΔHf, kcal/mol:

226.92

Dipole, Da:

2.55

IP(EA), eV:

 -8.1(-0.76)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[(8S)-3-(2,6-difluorophenyl)-5-ethyl-7,7,8-trimethyl-5,6-dihydrocinnolin-8-yl]-N-(2-hydroxyethyl)-N-methylpyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3C4=C(C=C(C=C4)C5=CC6=C(C=C5)N(C7=CC=CC=C76)C8=CC=CC=C8)C9=CC=CC=C39)C1=CC=CC=C1

DOS

IR

Vibrations