Geometry & MOs

Info

ID:	203690
PubChem CID:	79858976
Reduced:	ClSN2O2C14H23 (1)
Stoich.:	ABC2D2E14F23 (1)
Weight, g/mol:	274.146347
ΔH_f, kcal/mol:	-86.47
Dipole, Da:	6.96
IP(EA), eV:	-8.48(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-aminoethyl)-N,2,5-trimethyl-N-(2-methylsulfonylethyl)pyrazol-3-amine

Drug info:

PubChemData

Smile

CCC(CC1=C(C=CC=C1Cl)N(C)CCS(=O)(=O)C)N

DOS

IR

Vibrations