Geometry & MOs

Info

ID:	279765
PubChem CID:	103845085
Reduced:	ClFNOSC12H17 (1)
Stoich.:	ABCDEF12G17 (1)
Weight, g/mol:	253.161269
ΔH_f, kcal/mol:	-92.0
Dipole, Da:	3.32
IP(EA), eV:	-8.69(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2-ethylpyrazol-3-yl)methyl]-2-methylsulfanylcyclohexan-1-amine

Drug info:

PubChemData

Smile

CC(C(CO)SC)NCC1=C(C=CC(=C1)Cl)F

DOS

IR

Vibrations