Geometry & MOs

Info

ID:	68165
PubChem CID:	46507881
Reduced:	O2N3C19H19 (1)
Stoich.:	A2B3C19D19 (1)
Weight, g/mol:	335.14339
ΔH_f, kcal/mol:	-37.24
Dipole, Da:	0.56
IP(EA), eV:	-8.57(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-benzyl-2-(4-fluorophenyl)-1,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)CN2C3=CC=CC=C3N=C(C2=O)C)C

DOS

IR

Vibrations