Geometry & MOs

Info

ID:	167419
PubChem CID:	74825716
Reduced:	N4O4C20H29 (1)
Stoich.:	A4B4C20D29 (1)
Weight, g/mol:	434.317138
ΔH_f, kcal/mol:	-111.39
Dipole, Da:	12.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754954
Charge, e:	1

Chem-info

IUPAC name:

2,2-diethyl-N-[[1-[(2-methylphenyl)methyl]piperidin-1-ium-4-yl]methyl]-N-(pyridin-3-ylmethyl)cyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)[NH+]2CCNC(=O)C2CC(=O)N3CCN(CC3)C(=O)C4=CC=CO4

DOS

IR

Vibrations