Geometry & MOs

Info

ID:	188539
PubChem CID:	77730198
Reduced:	OCl2N3C21H35 (1)
Stoich.:	AB2C3D21E35 (1)
Weight, g/mol:	340.257772
ΔH_f, kcal/mol:	-121.26
Dipole, Da:	8.72
IP(EA), eV:	-9.07(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2-difluoro-3-(4-prop-1-enylcyclohexyl)-4-(4-propylcyclohexyl)oxetane

Drug info:

PubChemData

Smile

CCC1(CCCCN1)C(=O)N2CCN(CC2)CCCC3=CC=CC=C3.Cl.Cl

DOS

IR

Vibrations