Geometry & MOs

Info

ID:	260604
PubChem CID:	103197116
Reduced:	N2O3C16H20 (1)
Stoich.:	A2B3C16D20 (1)
Weight, g/mol:	288.158626
ΔH_f, kcal/mol:	-95.97
Dipole, Da:	4.78
IP(EA), eV:	-9.04(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(aminomethyl)phenyl]-5-oxo-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridine-1-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C1CCCN(C1)C2=CC=CC=C2/C=C/C(=O)O

DOS

IR

Vibrations