Geometry & MOs

Info

ID:	198650
PubChem CID:	79130600
Reduced:	NOC16H19 (1)
Stoich.:	ABC16D19 (1)
Weight, g/mol:	301.161269
ΔH_f, kcal/mol:	-18.64
Dipole, Da:	3.05
IP(EA), eV:	-9.27(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1-cyclohexylpyrazol-3-yl)methylsulfanyl]-4-methylaniline

Drug info:

PubChemData

Smile

C1CCC(C1)(C#N)C2(CCCC3=CC=CC=C32)O

DOS

IR

Vibrations