Geometry & MOs

Info

ID:	309635
PubChem CID:	126551526
Reduced:	O2N3C6H13 (1)
Stoich.:	A2B3C6D13 (1)
Weight, g/mol:	370.284736
ΔH_f, kcal/mol:	-46.79
Dipole, Da:	3.54
IP(EA), eV:	-9.79(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-butylcyclohexyl)-1-[4-(trifluoromethyl)cyclohexyl]cyclohexene

Drug info:

PubChemData

Smile

CC(C)N(C)C(=O)N(C)N=O

DOS

IR

Vibrations