Geometry & MOs

Info

ID:	150653
PubChem CID:	53790347
Reduced:	PO4C18H33 (1)
Stoich.:	AB4C18D33 (1)
Weight, g/mol:	395.9764
ΔH_f, kcal/mol:	-248.31
Dipole, Da:	6.11
IP(EA), eV:	-9.14(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-(4-bromo-2-chlorophenoxy)phenoxy]pent-2-enoic acid

Drug info:

PubChemData

Smile

CC(=CCCC(=CCCC(=CCCCOCP(=O)(O)O)C)C)C

DOS

IR

Vibrations