Geometry & MOs

Info

ID:	253351
PubChem CID:	103117913
Reduced:	OSN4C15H20 (1)
Stoich.:	ABC4D15E20 (1)
Weight, g/mol:	280.135782
ΔH_f, kcal/mol:	7.03
Dipole, Da:	7.06
IP(EA), eV:	-8.39(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-1-cyclohexyl-2-sulfanylideneethyl)-1-methylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CCC(CC)(C(=S)N)NC(=O)C1=NN(C2=CC=CC=C21)C

DOS

IR

Vibrations