Geometry & MOs

Info

ID:	138526
PubChem CID:	52380217
Reduced:	ON2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	422.291986
ΔH_f, kcal/mol:	-17.56
Dipole, Da:	3.91
IP(EA), eV:	-9.13(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]-N-(2-pyrazin-2-ylethyl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC2=C(N1)C=C(C=C2)C(=O)N(C[C@H]3CCCO3)CC4=CC=CC=N4

DOS

IR

Vibrations