Geometry & MOs

Info

ID:	198999
PubChem CID:	79186911
Reduced:	SCl2N2O2C13H18 (1)
Stoich.:	AB2C2D2E13F18 (1)
Weight, g/mol:	300.161997
ΔH_f, kcal/mol:	-87.52
Dipole, Da:	3.31
IP(EA), eV:	-9.69(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3,4-dimethylpyrrolidin-1-yl)sulfonylpyrazol-1-yl]-N-ethylethanamine

Drug info:

PubChemData

Smile

CC1CN(CC1C)S(=O)(=O)C2=C(C(=C(C=C2)Cl)CN)Cl

DOS

IR

Vibrations