Geometry & MOs

Info

ID:	192623
PubChem CID:	78292702
Reduced:	O3N4C22H24 (1)
Stoich.:	A3B4C22D24 (1)
Weight, g/mol:	412.130218
ΔH_f, kcal/mol:	-73.76
Dipole, Da:	1.6
IP(EA), eV:	-8.7(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chloroanilino)-1,3-dimethyl-8-phenyl-4a,5,6,8a-tetrahydropyrido[2,3-d]pyrimidine-2,4,7-trione

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC2CC(=O)N(C3C2C(=O)N(C(=O)N3C)C)C4=CC=CC=C4

DOS

IR

Vibrations