Geometry & MOs

Info

ID:	321711
PubChem CID:	126666842
Reduced:	ON6H14C15 (1)
Stoich.:	AB6C14D15 (1)
Weight, g/mol:	168.11503
ΔH_f, kcal/mol:	94.59
Dipole, Da:	2.92
IP(EA), eV:	-9.17(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethoxy-5-ethylcyclohexa-1,3-dien-1-ol

Drug info:

PubChemData

Smile

COCC1=CN(N=N1)CC2=NC3=C(N2)C=NC4=CC=CC=C43

DOS

IR

Vibrations