Geometry & MOs

Info

ID:	260530
PubChem CID:	103194524
Reduced:	ON3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	246.148061
ΔH_f, kcal/mol:	-23.89
Dipole, Da:	5.75
IP(EA), eV:	-8.57(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(aminomethyl)pyridin-2-yl]-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N)N2CCCC3C2CNC3=O

DOS

IR

Vibrations