Geometry & MOs

Info

ID:	122909
PubChem CID:	50826383
Reduced:	FO2N4C26H29 (1)
Stoich.:	AB2C4D26E29 (1)
Weight, g/mol:	430.236876
ΔH_f, kcal/mol:	-85.77
Dipole, Da:	2.95
IP(EA), eV:	-8.87(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CN2C(=O)C3=C(CN(CC3)CC4=CC=CC=C4)N=C2C(C)C)F

DOS

IR

Vibrations