Geometry & MOs

Info

ID:	164566
PubChem CID:	74417462
Reduced:	ON2C23H35 (1)
Stoich.:	AB2C23D35 (1)
Weight, g/mol:	418.192629
ΔH_f, kcal/mol:	-28.41
Dipole, Da:	4.23
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753069
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-3-(1-methylsulfonylpiperidin-4-yl)oxybenzamide

Drug info:

PubChemData

Smile

C1CCC(C1)C(=O)N2CCC(C2)C3CC[NH+](CC3)CCC4=CC=CC=C4

DOS

IR

Vibrations