Geometry & MOs

Info

ID:	184136
PubChem CID:	77115709
Reduced:	ON4C14H14 (1)
Stoich.:	AB4C14D14 (1)
Weight, g/mol:	426.241962
ΔH_f, kcal/mol:	53.29
Dipole, Da:	5.82
IP(EA), eV:	-7.81(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3,4-dimethylanilino)-5-(4-phenylphenyl)-2,3,4a,5,6,7,8,8a-octahydro-1H-pyrido[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2NC(=C3C=C(C=CC3=O)N)NN2

DOS

IR

Vibrations