Geometry & MOs

Info

ID:	394624
PubChem CID:	135023303
Reduced:	ON3C18H27 (1)
Stoich.:	AB3C18D27 (1)
Weight, g/mol:	198.104465
ΔH_f, kcal/mol:	-15.04
Dipole, Da:	3.12
IP(EA), eV:	-8.2(0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(E)-2-phenylethenyl]cyclohexa-2,4-dien-1-ol

Drug info:

PubChemData

Smile

CCC(C)[C@H]1COCC2=NN(CN12)C3=C(C=C(C=C3C)C)C

DOS

IR

Vibrations