Geometry & MOs

Info

ID:	199014
PubChem CID:	79187758
Reduced:	NSO3C15H23 (1)
Stoich.:	ABC3D15E23 (1)
Weight, g/mol:	273.114713
ΔH_f, kcal/mol:	-131.15
Dipole, Da:	6.83
IP(EA), eV:	-9.5(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(3,4-dimethylpyrrolidin-1-yl)sulfonyl-5-methyl-1H-pyrazol-3-yl]methanol

Drug info:

PubChemData

Smile

CC1CN(CC1C)S(=O)(=O)C2=CC=C(C=C2)CCCO

DOS

IR

Vibrations