Geometry & MOs

Info

ID:	402652
PubChem CID:	135056711
Reduced:	O2C11H14 (1)
Stoich.:	A2B11C14 (1)
Weight, g/mol:	242.105528
ΔH_f, kcal/mol:	-69.6
Dipole, Da:	2.25
IP(EA), eV:	-9.11(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(4-methylpyrimidin-2-yl)benzoate

Drug info:

PubChemData

Smile

CCC(/C=C/C1=CC(=CC=C1)O)O

DOS

IR

Vibrations