Geometry & MOs

Info

ID:	167563
PubChem CID:	74845626
Reduced:	O3N4C17H20 (1)
Stoich.:	A3B4C17D20 (1)
Weight, g/mol:	437.231456
ΔH_f, kcal/mol:	-53.18
Dipole, Da:	3.27
IP(EA), eV:	-9.22(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(4-butoxybenzoyl)-2-(4-methoxyphenyl)-1,2,3,4a,5,7,8,8a-octahydropyrido[4,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN(C)C(=O)N1CCC2=NC(=NC(=O)C2C1)C3=CC=C(C=C3)OC

DOS

IR

Vibrations