Geometry & MOs

Info

ID:	23015
PubChem CID:	600879
Reduced:	ClNO2C19H22 (1)
Stoich.:	ABC2D19E22 (1)
Weight, g/mol:	331.133907
ΔH_f, kcal/mol:	-70.2
Dipole, Da:	2.73
IP(EA), eV:	-9.17(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butoxy-N-[2-(4-chlorophenyl)ethyl]benzamide

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C(=O)NCCC2=CC=C(C=C2)Cl

DOS

IR

Vibrations