Geometry & MOs

Info

ID:	138215
PubChem CID:	52328760
Reduced:	O2N4C20H25 (1)
Stoich.:	A2B4C20D25 (1)
Weight, g/mol:	233.177964
ΔH_f, kcal/mol:	-3.05
Dipole, Da:	5.59
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.766124
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-methyl-N-(3-phenylpropyl)pentanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(N1CC=C)C)C(=O)C[N+]2=C(NC3=CC=CC=C32)NCCO

DOS

IR

Vibrations