Geometry & MOs

Info

ID:	158345
PubChem CID:	56463456
Reduced:	ON4C27H34 (1)
Stoich.:	AB4C27D34 (1)
Weight, g/mol:	451.221954
ΔH_f, kcal/mol:	5.4
Dipole, Da:	5.29
IP(EA), eV:	-8.1(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-acetamido-5-methylphenyl)-1-(2-methylpropyl)-2,4-dioxo-7-propan-2-ylpyrido[2,3-d]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)N2C(=CC(=C2C)C(=O)NC(CN3CCN(CC3)C)C4=CC=CC=C4)C

DOS

IR

Vibrations