Geometry & MOs

Info

ID:	260560
PubChem CID:	103195118
Reduced:	NOC5H8 (2)
Stoich.:	ABC5D8 (2)
Weight, g/mol:	309.114713
ΔH_f, kcal/mol:	-52.61
Dipole, Da:	6.38
IP(EA), eV:	-9.37(1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC2C(CNC2=O)N(C1)CC3CO3

DOS

IR

Vibrations