Geometry & MOs

Info

ID:	138667
PubChem CID:	52404213
Reduced:	ON2C21H35 (1)
Stoich.:	AB2C21D35 (1)
Weight, g/mol:	330.267114
ΔH_f, kcal/mol:	-41.85
Dipole, Da:	3.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752505
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-butan-2-yl]-N-[(4-methylphenyl)methyl]-3-(1-methylpiperidin-4-yl)propanamide

Drug info:

PubChemData

Smile

CC[C@@H](C)N(CC1=CC=C(C=C1)C)C(=O)CCC2CC[NH+](CC2)C

DOS

IR

Vibrations