Geometry & MOs

Info

ID:	23950
PubChem CID:	607188
Reduced:	O3N4H16C22 (1)
Stoich.:	A3B4C16D22 (1)
Weight, g/mol:	384.12224
ΔH_f, kcal/mol:	3.09
Dipole, Da:	4.31
IP(EA), eV:	-9.64(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-methyl-5-oxo-2-phenyl-7,8-dihydropyrido[4,3-d]pyrimidin-6-yl)isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1CC2=NC(=NC=C2C(=O)N1N3C(=O)C4=CC=CC=C4C3=O)C5=CC=CC=C5

DOS

IR

Vibrations