Geometry & MOs

Info

ID:	335529
PubChem CID:	127254391
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	401.195071
ΔH_f, kcal/mol:	-57.09
Dipole, Da:	4.71
IP(EA), eV:	-8.3(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[(3,4-dimethoxyphenyl)methyl]piperidin-4-yl]-5-methoxy-4-oxo-1H-pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2)NC(=O)N3CCC(CC3)C4=NC5=CC=CC=C5N4)OC1

DOS

IR

Vibrations