Geometry & MOs

Info

ID:	159794
PubChem CID:	57288757
Reduced:	NSF3O3H10C11 (1)
Stoich.:	ABC3D3E10F11 (1)
Weight, g/mol:	380.231557
ΔH_f, kcal/mol:	-242.46
Dipole, Da:	3.36
IP(EA), eV:	-9.12(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-difluoro-1-(1-pentylcyclohexyl)-4-(4-prop-1-ynylphenyl)benzene

Drug info:

PubChemData

Smile

CSOC(=O)CC=NC1=CC(=CC=C1)OC(F)(F)F

DOS

IR

Vibrations