Geometry & MOs

Info

ID:	68163
PubChem CID:	46507875
Reduced:	O2F3N3H14C18 (1)
Stoich.:	A2B3C3D14E18 (1)
Weight, g/mol:	374.174276
ΔH_f, kcal/mol:	-181.16
Dipole, Da:	4.74
IP(EA), eV:	-9.38(-1.32)
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-phenylacetamide

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2N(C1=O)CC(=O)NC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations