Geometry & MOs

Info

ID:	166790
PubChem CID:	74734066
Reduced:	N3O4C27H27 (1)
Stoich.:	A3B4C27D27 (1)
Weight, g/mol:	315.243639
ΔH_f, kcal/mol:	-74.82
Dipole, Da:	10.69
IP(EA), eV:	-8.74(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2-methylphenyl)-[2-(2-piperidin-1-ium-1-ylethyl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1NC(=O)C(C)OC(=O)C(=CC2=C(N(C(=C2)C)C3=CC=C(C=C3)OC)C)C#N

DOS

IR

Vibrations