Geometry & MOs

Info

ID:	217649
PubChem CID:	85088159
Reduced:	O3C25H36 (1)
Stoich.:	A3B25C36 (1)
Weight, g/mol:	384.266445
ΔH_f, kcal/mol:	-127.51
Dipole, Da:	5.65
IP(EA), eV:	-8.76(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[2-(3,5-ditert-butyl-2-ethoxyphenyl)cyclopropyl]-2-methylpenta-2,4-dienoic acid

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1C(C)(C)C)C(C)(C)C)C(=CC=CC=C(C)C(=O)O)C

DOS

IR

Vibrations