Geometry & MOs

Info

ID:	124383
PubChem CID:	50881112
Reduced:	ClON3C13H20 (1)
Stoich.:	ABC3D13E20 (1)
Weight, g/mol:	241.09819
ΔH_f, kcal/mol:	-54.51
Dipole, Da:	1.22
IP(EA), eV:	-8.05(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-amino-2-chloro-5-(dimethylamino)phenyl]propanamide

Drug info:

PubChemData

Smile

CCC(=O)NC1=C(C=C(C(=C1)N(CC)CC)N)Cl

DOS

IR

Vibrations