Geometry & MOs

Info

ID:	407434
PubChem CID:	135080095
Reduced:	NO4C17H25 (1)
Stoich.:	AB4C17D25 (1)
Weight, g/mol:	318.01168
ΔH_f, kcal/mol:	-185.92
Dipole, Da:	3.83
IP(EA), eV:	-8.94(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(3-iodobut-3-enyl)cyclohexa-2,5-diene-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)CC(=O)N(C1=CC=C(C=C1)OC)C(=O)OC(C)(C)C

DOS

IR

Vibrations