Geometry & MOs

Info

ID:	261421
PubChem CID:	103232921
Reduced:	BrNO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	227.08254
ΔH_f, kcal/mol:	-63.45
Dipole, Da:	4.18
IP(EA), eV:	-8.5(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-3-[(2-chlorophenyl)methylamino]propanamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)NC/C=C(\C)/C(=O)OC)Br

DOS

IR

Vibrations