Geometry & MOs

Info

ID:	191382
PubChem CID:	78141461
Reduced:	NOC8H9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	361.161269
ΔH_f, kcal/mol:	-66.58
Dipole, Da:	3.96
IP(EA), eV:	-8.79(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylphenyl)-8-[(4-methylphenyl)methylidene]-1,3,4,5,6,7-hexahydropyrido[4,3-d]pyrimidine-2-thione

Drug info:

PubChemData

Smile

CCC1CC2=C(C(=O)C1CC(=O)N)NC3=CC=CC=C23

DOS

IR

Vibrations