Geometry & MOs

Info

ID:	69542
PubChem CID:	47193720
Reduced:	ClN2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	297.124405
ΔH_f, kcal/mol:	-87.67
Dipole, Da:	1.78
IP(EA), eV:	-8.78(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[(2-chloro-4-methylphenyl)carbamoylamino]ethyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CC1CN(CCO1)C(=O)NC2=C(C=C(C=C2)C)Cl

DOS

IR

Vibrations