Geometry & MOs

Info

ID:	218571
PubChem CID:	85089633
Reduced:	N3O7C25H27 (1)
Stoich.:	A3B7C25D27 (1)
Weight, g/mol:	487.210721
ΔH_f, kcal/mol:	-208.08
Dipole, Da:	6.84
IP(EA), eV:	-9.21(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3,4-dimethoxyphenyl)-7-(4-methoxyphenyl)-3-phenyl-4a,5,6,7,8,8a-hexahydro-1H-pyrido[2,3-d]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CNCC#CC1=C2CC3CC4C(C(=O)C(C(=O)C4(C(=O)C3C(=O)C2=C(C=C1)O)O)C(=O)N)N(C)C

DOS

IR

Vibrations