Geometry & MOs

Info

ID:	167179
PubChem CID:	74791562
Reduced:	N2O2C19H31 (1)
Stoich.:	A2B2C19D31 (1)
Weight, g/mol:	425.260432
ΔH_f, kcal/mol:	-90.38
Dipole, Da:	3.12
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758783
Charge, e:	1

Chem-info

IUPAC name:

4-fluoro-N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(oxolan-2-ylmethyl)benzamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)C[NH2+]CC2(CCCN(C2=O)CC(C)(C)C)O

DOS

IR

Vibrations