Geometry & MOs

Info

ID:	285535
PubChem CID:	104110492
Reduced:	ClNOC15H22 (1)
Stoich.:	ABCD15E22 (1)
Weight, g/mol:	253.123342
ΔH_f, kcal/mol:	-77.18
Dipole, Da:	4.94
IP(EA), eV:	-9.72(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-chloropentan-2-yl)-2,5-dimethylbenzamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)C(=O)NC(C)CC(C)Cl

DOS

IR

Vibrations