Geometry & MOs

Info

ID:	191990
PubChem CID:	78210594
Reduced:	OSN4C18H22 (1)
Stoich.:	ABC4D18E22 (1)
Weight, g/mol:	299.138225
ΔH_f, kcal/mol:	15.25
Dipole, Da:	3.51
IP(EA), eV:	-8.51(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-amino-1-methyl-2,4-dioxo-5-phenyl-4a,5,6,7,8,8a-hexahydropyrido[2,3-d]pyrimidine-6-carbonitrile

Drug info:

PubChemData

Smile

CCC1(CC2=CC=CC=C2C3=C1C(=O)N4C(N3)NN=C4SCC)C

DOS

IR

Vibrations