Geometry & MOs

Info

ID:	236702
PubChem CID:	92714484
Reduced:	ON3C23H23 (1)
Stoich.:	AB3C23D23 (1)
Weight, g/mol:	357.184112
ΔH_f, kcal/mol:	25.36
Dipole, Da:	3.37
IP(EA), eV:	-8.41(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-6-(4-methylphenyl)-7-(2,4,6-trimethylanilino)-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2[C@H](C3=C(C2=O)C=CC=N3)NC4=C(C=C(C=C4C)C)C

DOS

IR

Vibrations