Geometry & MOs

Info

ID:	391631
PubChem CID:	135007325
Reduced:	O5C20H28 (1)
Stoich.:	A5B20C28 (1)
Weight, g/mol:	310.131742
ΔH_f, kcal/mol:	-203.37
Dipole, Da:	5.03
IP(EA), eV:	-9.83(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4,4-diisocyano-5-(4-methoxyphenyl)cyclohexene-1-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)C1(CC(=C)/C(=C/CCCCC=C)/C(=O)C1)C(=O)OCC

DOS

IR

Vibrations