Geometry & MOs

Info

ID:	165385
PubChem CID:	74544395
Reduced:	ClN2O6C24H27 (1)
Stoich.:	AB2C6D24E27 (1)
Weight, g/mol:	340.131074
ΔH_f, kcal/mol:	-200.46
Dipole, Da:	3.41
IP(EA), eV:	-8.77(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(4-butoxybenzoyl)oxyphenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)NC(=O)CN(C)C(=O)COC(=O)C=CC2=CC(=C(C(=C2)Cl)OC)OC

DOS

IR

Vibrations