Geometry & MOs

Info

ID:	48185
PubChem CID:	10537765
Reduced:	O4C13H16 (1)
Stoich.:	A4B13C16 (1)
Weight, g/mol:	236.094963
ΔH_f, kcal/mol:	-168.45
Dipole, Da:	5.9
IP(EA), eV:	-9.62(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methylphenyl)pyrido[1,2-a]pyrimidin-4-one

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(CC1=CC=CC=C1)C(=O)O

DOS

IR

Vibrations