Geometry & MOs

Info

ID:	221566
PubChem CID:	85279891
Reduced:	ON2C4H5 (2)
Stoich.:	AB2C4D5 (2)
Weight, g/mol:	194.167065
ΔH_f, kcal/mol:	-1.99
Dipole, Da:	1.09
IP(EA), eV:	-10.23(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1,2-dimethyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl)ethanol

Drug info:

PubChemData

Smile

C=CCOC(=O)N=C(N)N1C=CC=N1

DOS

IR

Vibrations