Geometry & MOs

Info

ID:	68167
PubChem CID:	46507885
Reduced:	O2N4C25H28 (1)
Stoich.:	A2B4C25D28 (1)
Weight, g/mol:	408.135304
ΔH_f, kcal/mol:	-25.73
Dipole, Da:	2.54
IP(EA), eV:	-8.69(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-benzyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(3-chlorophenyl)acetamide

Drug info:

PubChemData

Smile

CC(C)C1=CC=C(C=C1)NC(=O)CN2C=NC3=C(C2=O)CCN(C3)CC4=CC=CC=C4

DOS

IR

Vibrations