Geometry & MOs

Info

ID:	268834
PubChem CID:	103601170
Reduced:	N2O2C7H10 (1)
Stoich.:	A2B2C7D10 (1)
Weight, g/mol:	284.141245
ΔH_f, kcal/mol:	-72.42
Dipole, Da:	2.26
IP(EA), eV:	-10.1(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-butan-2-ylphenoxy)methyl]benzoic acid

Drug info:

PubChemData

Smile

CC(=C)CN1C(=O)CNC1=O

DOS

IR

Vibrations