Geometry & MOs

Info

ID:	175597
PubChem CID:	75926057
Reduced:	ON2C16H25 (1)
Stoich.:	AB2C16D25 (1)
Weight, g/mol:	260.188863
ΔH_f, kcal/mol:	-21.02
Dipole, Da:	3.73
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752906
Charge, e:	0

Chem-info

IUPAC name:

2-[1-(3-phenylpropyl)piperidin-2-yl]acetamide

Drug info:

PubChemData

Smile

C1CC[NH+](C(C1)CC(=O)N)CCCC2=CC=CC=C2

DOS

IR

Vibrations