Geometry & MOs

Info

ID:	260589
PubChem CID:	103196324
Reduced:	BrN2O2C15H17 (1)
Stoich.:	AB2C2D15E17 (1)
Weight, g/mol:	337.07897
ΔH_f, kcal/mol:	-55.53
Dipole, Da:	3.36
IP(EA), eV:	-9.41(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)C1=C(C=C(C=C1)Br)N2CCCC3C2CNC3=O

DOS

IR

Vibrations