Geometry & MOs

Info

ID:	263311
PubChem CID:	103354859
Reduced:	ClO3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	260.094312
ΔH_f, kcal/mol:	-100.34
Dipole, Da:	1.17
IP(EA), eV:	-9.17(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-amino-1-methylpyrazol-4-yl)sulfonyl-3-methylpyrrolidin-3-ol

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)C2(C(O2)(C(=O)OC)Cl)C

DOS

IR

Vibrations