Geometry & MOs

Info

ID:	9926
PubChem CID:	94893
Reduced:	NOC14H21 (1)
Stoich.:	ABC14D21 (1)
Weight, g/mol:	219.162314
ΔH_f, kcal/mol:	-51.01
Dipole, Da:	3.41
IP(EA), eV:	-9.24(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylbutyl)-N-phenylpropanamide

Drug info:

PubChemData

Smile

CCC(=O)N(CCC(C)C)C1=CC=CC=C1

DOS

IR

Vibrations