Geometry & MOs

Info

ID:	347243
PubChem CID:	127271784
Reduced:	SO3N5C18H31 (1)
Stoich.:	AB3C5D18E31 (1)
Weight, g/mol:	304.226312
ΔH_f, kcal/mol:	-117.07
Dipole, Da:	7.46
IP(EA), eV:	-8.71(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-N-[2-[cyclopropyl(methyl)amino]ethyl]-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CN1C)S(=O)(=O)NCCC(=O)N2CCC(CC2)N3CCCCC3

DOS

IR

Vibrations