Geometry & MOs

Info

ID:	191898
PubChem CID:	78198890
Reduced:	O3N5C16H20 (1)
Stoich.:	A3B5C16D20 (1)
Weight, g/mol:	232.121178
ΔH_f, kcal/mol:	-60.53
Dipole, Da:	2.48
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.825321
Charge, e:	0

Chem-info

IUPAC name:

2,6-dimethylspiro[4aH-pyrrolo[3,4-b]pyridine-7,1'-cyclopentane]-4,5-dione

Drug info:

PubChemData

Smile

CN1C2=NC(=[N+](C2C(=O)N(C1=O)C)CCO)NCC3=CC=CC=C3

DOS

IR

Vibrations