Geometry & MOs

Info

ID:	167561
PubChem CID:	74845519
Reduced:	SO4N5C28H33 (1)
Stoich.:	AB4C5D28E33 (1)
Weight, g/mol:	385.179027
ΔH_f, kcal/mol:	-58.45
Dipole, Da:	5.92
IP(EA), eV:	-8.72(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(naphthalene-2-carbonyl)-2-phenyl-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCN(CC(=O)NC1=NC(=CS1)CC(=O)N2CCN(CC2)CC=CC3=CC=CC=C3)C(=O)C4=CC=CO4

DOS

IR

Vibrations