Geometry & MOs

Info

ID:	138141
PubChem CID:	52317813
Reduced:	O2N4C22H29 (1)
Stoich.:	A2B4C22D29 (1)
Weight, g/mol:	419.208316
ΔH_f, kcal/mol:	-53.36
Dipole, Da:	0.88
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.126701
Charge, e:	1

Chem-info

IUPAC name:

2-(6-benzyl-2-methyl-4-oxo-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-6-ium-3-yl)-N-(4-methoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=NC2=C(C[NH+](CC2)CC3=CC=CC=C3)C(=O)N1CC(=O)NC4CCCC4

DOS

IR

Vibrations