Geometry & MOs

Info

ID:	128364
PubChem CID:	51041241
Reduced:	ClON2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	180.102941
ΔH_f, kcal/mol:	-46.35
Dipole, Da:	4.59
IP(EA), eV:	-9.41(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-propan-2-ylbutanamide;hydrochloride

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1Cl)NC(=O)CCCN

DOS

IR

Vibrations