Geometry & MOs

Info

ID:	266643
PubChem CID:	103577541
Reduced:	BrN3C12H14 (1)
Stoich.:	AB3C12D14 (1)
Weight, g/mol:	219.137162
ΔH_f, kcal/mol:	50.44
Dipole, Da:	4.9
IP(EA), eV:	-8.71(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-amino-4-methylpyrrolidin-1-yl)benzamide

Drug info:

PubChemData

Smile

CC1CN(CC1N)C2=C(C=C(C=C2)Br)C#N

DOS

IR

Vibrations