Geometry & MOs

Info

ID:	394857
PubChem CID:	135023983
Reduced:	N2O4C15H18 (1)
Stoich.:	A2B4C15D18 (1)
Weight, g/mol:	248.094963
ΔH_f, kcal/mol:	-126.12
Dipole, Da:	5.86
IP(EA), eV:	-8.77(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/C1=CN=C2C=CC=CN2C1(O)OCC

DOS

IR

Vibrations