Geometry & MOs

Info

ID:	236536
PubChem CID:	92713824
Reduced:	N4O5H18C21 (1)
Stoich.:	A4B5C18D21 (1)
Weight, g/mol:	379.108754
ΔH_f, kcal/mol:	-28.59
Dipole, Da:	6.25
IP(EA), eV:	-8.66(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-7-(3-chloro-4-methylanilino)-6-(3-methoxyphenyl)-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)N[C@H]2C3=C(C=CC=N3)C(=O)N2C4=CC(=CC=C4)OC)[N+](=O)[O-]

DOS

IR

Vibrations