Geometry & MOs

Info

ID:	174049
PubChem CID:	75715662
Reduced:	ClN2O3C18H21 (1)
Stoich.:	AB2C3D18E21 (1)
Weight, g/mol:	444.181585
ΔH_f, kcal/mol:	-97.87
Dipole, Da:	3.69
IP(EA), eV:	-9.43(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[2-(cyclohexylamino)-1-(3,4-dimethoxyphenyl)-2-oxoethyl]-N-methylbenzamide

Drug info:

PubChemData

Smile

CC(C)(C)NC(=O)C(C1=CC=CO1)N(C)C(=O)C2=CC(=CC=C2)Cl

DOS

IR

Vibrations