Geometry & MOs

Info

ID:	292090
PubChem CID:	114450341
Reduced:	ClSF3N3C8H11 (1)
Stoich.:	ABC3D3E8F11 (1)
Weight, g/mol:	228.172545
ΔH_f, kcal/mol:	-135.52
Dipole, Da:	9.23
IP(EA), eV:	-9.38(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(3-methylbutoxy)cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(CNC1=NN=C(S1)C(F)(F)F)CCl

DOS

IR

Vibrations