Geometry & MOs

Info

ID:	147625
PubChem CID:	53787281
Reduced:	ON3H9C10 (1)
Stoich.:	AB3C9D10 (1)
Weight, g/mol:	370.359951
ΔH_f, kcal/mol:	25.91
Dipole, Da:	2.33
IP(EA), eV:	-9.58(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-4-[4-[4-(4-prop-1-enylcyclohexyl)but-3-enyl]cyclohexyl]cyclohexane

Drug info:

PubChemData

Smile

CC1=NC=CC(=N1)C2=CC(=CN=C2)O

DOS

IR

Vibrations