Geometry & MOs

Info

ID:	184573
PubChem CID:	77178644
Reduced:	N4O4C27H32 (1)
Stoich.:	A4B4C27D32 (1)
Weight, g/mol:	233.056719
ΔH_f, kcal/mol:	-85.88
Dipole, Da:	2.66
IP(EA), eV:	-8.56(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-5,6,7,8-tetrahydro-4aH-pyrido[4,3-d]pyrimidine-2,4-dione;hydrochloride

Drug info:

PubChemData

Smile

COC1=CC2=C(C=CN=C2C=C1)C(CCC3CCN(CC3C(=O)O)C4CN(C4)C5=CC=CC=N5)O

DOS

IR

Vibrations