Geometry & MOs

Info

ID:	185915
PubChem CID:	77368777
Reduced:	NO2C9H11 (2)
Stoich.:	AB2C9D11 (2)
Weight, g/mol:	358.178024
ΔH_f, kcal/mol:	-132.32
Dipole, Da:	4.87
IP(EA), eV:	-8.66(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(3-benzylidene-2,4-dimethylcyclohexa-1,5-dien-1-yl)hex-5-ene-1,2,3,4,5-pentol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations