Geometry & MOs

Info

ID:	27018
PubChem CID:	811678
Reduced:	O2N4C17H20 (1)
Stoich.:	A2B4C17D20 (1)
Weight, g/mol:	313.142641
ΔH_f, kcal/mol:	-38.82
Dipole, Da:	5.49
IP(EA), eV:	-9.34(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-methoxyacetyl)-2-(4-methylphenyl)-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NC(=O)C3=C(N2)CCN(C3)C(=O)N(C)C

DOS

IR

Vibrations