Geometry & MOs

Info

ID:	183330
PubChem CID:	77008882
Reduced:	O2N3C16H19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	195.100777
ΔH_f, kcal/mol:	-48.66
Dipole, Da:	3.63
IP(EA), eV:	-9.56(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(methoxymethyl)-4a,5,6,7-tetrahydro-1H-pyrido[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCCC1C(NC(NC1=O)C2=CC=NC3=CC=CC=C23)O

DOS

IR

Vibrations