Geometry & MOs

Info

ID:	309643
PubChem CID:	126551800
Reduced:	O2N3H13C18 (1)
Stoich.:	A2B3C13D18 (1)
Weight, g/mol:	354.273422
ΔH_f, kcal/mol:	14.82
Dipole, Da:	2.87
IP(EA), eV:	-9.23(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-1-[4-(difluoromethoxy)cyclohexyl]-4-(4-propylcyclohexyl)cyclohexene

Drug info:

PubChemData

Smile

C1=CC2=C(C=C1C#N)NC3=C4C=C(C(=CC4=NC=C23)CO)CO

DOS

IR

Vibrations