Geometry & MOs

Info

ID:	193620
PubChem CID:	78413756
Reduced:	Cl2O2N5C18H18 (1)
Stoich.:	A2B2C5D18E18 (1)
Weight, g/mol:	322.06776
ΔH_f, kcal/mol:	-7.95
Dipole, Da:	6.38
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.847828
Charge, e:	0

Chem-info

IUPAC name:

2-amino-5-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrido[2,3-d]pyrimidine-4,7-dione

Drug info:

PubChemData

Smile

CC1=C(N2C3C(=[N+](C(=O)N(C3=O)C)C)N=C2N1CC4=CC(=C(C=C4)Cl)Cl)C

DOS

IR

Vibrations