Geometry & MOs

Info

ID:	309639
PubChem CID:	126551671
Reduced:	SN3O4C29H43 (1)
Stoich.:	AB3C4D29E43 (1)
Weight, g/mol:	360.226472
ΔH_f, kcal/mol:	-163.94
Dipole, Da:	3.09
IP(EA), eV:	-9.2(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(4-but-3-enylcyclohexyl)cyclohexen-1-yl]-4-(difluoromethoxy)benzene

Drug info:

PubChemData

Smile

CCC(C)CC(CC(=O)N1CCCC1C(C(C)C(=O)NC(CC2=CC=CC=C2)C3=NC=CS3)OC)OC

DOS

IR

Vibrations