Geometry & MOs

Info

ID:	60593
PubChem CID:	26697245
Reduced:	N2O3C18H20 (1)
Stoich.:	A2B3C18D20 (1)
Weight, g/mol:	344.129156
ΔH_f, kcal/mol:	-87.71
Dipole, Da:	2.59
IP(EA), eV:	-8.81(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[4-(4-ethylanilino)-4-oxobutyl]benzamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)CNC(=O)C2=CC(=CC=C2)OC

DOS

IR

Vibrations