Geometry & MOs

Info

ID:	122908
PubChem CID:	50826312
Reduced:	ClO4N6C19H19 (1)
Stoich.:	AB4C6D19E19 (1)
Weight, g/mol:	448.227454
ΔH_f, kcal/mol:	-81.51
Dipole, Da:	5.31
IP(EA), eV:	-8.55(-1.35)
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-(3-fluoro-4-methylphenyl)acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)CN2C=NC3=NC(=NC=C3C2=O)N4CCOCC4)Cl

DOS

IR

Vibrations