Geometry & MOs

Info

ID:	137566
PubChem CID:	52228780
Reduced:	ClN2O3H19C20 (1)
Stoich.:	AB2C3D19E20 (1)
Weight, g/mol:	366.230728
ΔH_f, kcal/mol:	-74.44
Dipole, Da:	3.68
IP(EA), eV:	-8.9(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-tert-butylphenyl)-N-[4-[2-(dimethylamino)-2-oxoethyl]phenyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)CC(=O)N(C)C

DOS

IR

Vibrations