Geometry & MOs

Info

ID:	175707
PubChem CID:	75939814
Reduced:	NOC10H13 (2)
Stoich.:	ABC10D13 (2)
Weight, g/mol:	480.297465
ΔH_f, kcal/mol:	-61.52
Dipole, Da:	3.31
IP(EA), eV:	-8.82(0.08)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[2-(4-methoxyphenyl)-2-piperidin-1-ium-1-ylethyl]-3-(4-methyl-6-oxo-2-pyridin-3-yl-1,3-diazinan-5-yl)propanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)C(CNC(=O)CC2=CC(=CC=C2)O)N(C)C

DOS

IR

Vibrations