Geometry & MOs

Info

ID:	280893
PubChem CID:	103851804
Reduced:	ClFNOSC13H13 (1)
Stoich.:	ABCDEF13G13 (1)
Weight, g/mol:	253.161269
ΔH_f, kcal/mol:	-46.75
Dipole, Da:	3.1
IP(EA), eV:	-9.1(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-methylsulfanylcyclohexan-1-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1CNCC(C2=CSC=C2)O)Cl)F

DOS

IR

Vibrations