Geometry & MOs

Info

ID:	138143
PubChem CID:	52317815
Reduced:	FO2N4C24H26 (1)
Stoich.:	AB2C4D24E26 (1)
Weight, g/mol:	449.21888
ΔH_f, kcal/mol:	-52.25
Dipole, Da:	6.38
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.167537
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-(3,5-dimethoxyphenyl)acetamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CN2C(=NC3=C(C2=O)C[NH+](CC3)CC4=CC=CC=C4)C)F

DOS

IR

Vibrations