Geometry & MOs

Info

ID:	216881
PubChem CID:	85086922
Reduced:	O5H16C18 (1)
Stoich.:	A5B16C18 (1)
Weight, g/mol:	312.099774
ΔH_f, kcal/mol:	-137.99
Dipole, Da:	7.01
IP(EA), eV:	-9.47(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-formylphenyl)ethenyl]-4,5-dimethoxybenzoic acid

Drug info:

PubChemData

Smile

CC1(C(=O)C=C(O1)C=CCOC2=CC3=C(C=C2)C=CC(=O)O3)C

DOS

IR

Vibrations