Geometry & MOs

Info

ID:	236635
PubChem CID:	92714283
Reduced:	N2O2H10C11 (2)
Stoich.:	A2B2C10D11 (2)
Weight, g/mol:	389.137556
ΔH_f, kcal/mol:	0.77
Dipole, Da:	5.61
IP(EA), eV:	-9.14(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7S)-7-(1,3-benzodioxol-5-ylamino)-6-[(4-methoxyphenyl)methyl]-7H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)[N+](=O)[O-])N[C@H]2C3=C(C=CC=N3)C(=O)N2CC4=CC=C(C=C4)OC

DOS

IR

Vibrations