Geometry & MOs

Info

ID:	217428
PubChem CID:	85087801
Reduced:	NH11C13 (2)
Stoich.:	AB11C13 (2)
Weight, g/mol:	362.15518
ΔH_f, kcal/mol:	128.88
Dipole, Da:	1.33
IP(EA), eV:	-7.87(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(benzenesulfonyl)-1-hydroxyethyl]-3-hexa-3,5-dienylcyclohexan-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N(C=CN(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations