Geometry & MOs

Info

ID:	79608
PubChem CID:	49829706
Reduced:	FN2O5C21H30 (1)
Stoich.:	AB2C5D21E30 (1)
Weight, g/mol:	415.223297
ΔH_f, kcal/mol:	-226.57
Dipole, Da:	4.91
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.018408
Charge, e:	1

Chem-info

IUPAC name:

N-(3,4-dimethoxyphenyl)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-1-ium-2-carboxamide

Drug info:

PubChemData

Smile

COCCN1C(=O)CC(C12CC[NH+](CC2)CC3=C(C=CC(=C3)OC)F)C(=O)OC

DOS

IR

Vibrations