Geometry & MOs

Info

ID:	69471
PubChem CID:	47188882
Reduced:	ClNOC17H22 (1)
Stoich.:	ABCD17E22 (1)
Weight, g/mol:	263.126991
ΔH_f, kcal/mol:	-39.67
Dipole, Da:	4.03
IP(EA), eV:	-9.61(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetamido-N-(4-amino-4-oxobutyl)benzamide

Drug info:

PubChemData

Smile

CC(C1CC1)NC(=O)C2(CCCC2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations