Geometry & MOs

Info

ID:	364033
PubChem CID:	127313704
Reduced:	OSN7C14H17 (1)
Stoich.:	ABC7D14E17 (1)
Weight, g/mol:	352.153541
ΔH_f, kcal/mol:	91.81
Dipole, Da:	5.57
IP(EA), eV:	-9.44(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carbonyl)-7,7-dimethyl-6,8-dihydro-1H-quinoline-2,5-dione

Drug info:

PubChemData

Smile

CC(C(=O)N1CCC2=CN=CN=C2C1)SC3=NN=NN3C4CC4

DOS

IR

Vibrations