Geometry & MOs

Info

ID:	24206
PubChem CID:	608431
Reduced:	NOC6H6 (2)
Stoich.:	ABC6D6 (2)
Weight, g/mol:	216.089878
ΔH_f, kcal/mol:	-42.36
Dipole, Da:	6.01
IP(EA), eV:	-9.54(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethoxy-2-phenyl-1H-pyrimidin-6-one

Drug info:

PubChemData

Smile

CCOC1=CC(=O)NC(=N1)C2=CC=CC=C2

DOS

IR

Vibrations