Geometry & MOs

Info

ID:	132133
PubChem CID:	51311408
Reduced:	ON4C17H24 (1)
Stoich.:	AB4C17D24 (1)
Weight, g/mol:	310.144806
ΔH_f, kcal/mol:	-16.86
Dipole, Da:	8.79
IP(EA), eV:	-8.79(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetamido-3-(4-chlorophenyl)-N-(3-methylbutan-2-yl)propanamide

Drug info:

PubChemData

Smile

CC(C)C(C)NC(=O)C1CCN(CC1)C2=NC=C(C=C2)C#N

DOS

IR

Vibrations