Geometry & MOs

Info

ID:	150697
PubChem CID:	53790391
Reduced:	F2N2O3H24C25 (1)
Stoich.:	A2B2C3D24E25 (1)
Weight, g/mol:	426.254578
ΔH_f, kcal/mol:	-153.14
Dipole, Da:	4.02
IP(EA), eV:	-8.77(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(difluoromethoxy)-1,3-difluoro-5-[4-(4-hex-5-enylcyclohexyl)cyclohexyl]benzene

Drug info:

PubChemData

Smile

CC(C)C1=NC(=C(N1C=C[C@H]2C[C@H](CC(=O)O2)O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)F

DOS

IR

Vibrations