Geometry & MOs

Info

ID:	337765
PubChem CID:	127258388
Reduced:	O5C14H16 (1)
Stoich.:	A5B14C16 (1)
Weight, g/mol:	264.099774
ΔH_f, kcal/mol:	-203.77
Dipole, Da:	6.09
IP(EA), eV:	-9.15(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[1-(2-methoxy-4-methylphenyl)ethylidene]butanedioic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)/C(=C(\CC(=O)O)/C(=O)O)/C)OC

DOS

IR

Vibrations