Geometry & MOs

Info

ID:	153169
PubChem CID:	56312319
Reduced:	N3O4C24H29 (1)
Stoich.:	A3B4C24D29 (1)
Weight, g/mol:	384.221306
ΔH_f, kcal/mol:	-55.98
Dipole, Da:	11.71
IP(EA), eV:	-8.82(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-fluorophenyl)methyl]-2-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-N-methylacetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2CCN(CC2)CC(=O)N3CCCC4=C3C=CC(=C4)[N+](=O)[O-]

DOS

IR

Vibrations