Geometry & MOs

Info

ID:	58491
PubChem CID:	24702045
Reduced:	NOC12H15 (1)
Stoich.:	ABC12D15 (1)
Weight, g/mol:	224.104859
ΔH_f, kcal/mol:	-3.77
Dipole, Da:	3.26
IP(EA), eV:	-9.78(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-ethoxyethoxymethyl)benzoic acid

Drug info:

PubChemData

Smile

CC(C)COCC1=CC=CC=C1C#N

DOS

IR

Vibrations