Geometry & MOs

Info

ID:	265703
PubChem CID:	103540555
Reduced:	N4O4C11H18 (1)
Stoich.:	A4B4C11D18 (1)
Weight, g/mol:	317.140927
ΔH_f, kcal/mol:	-80.58
Dipole, Da:	5.7
IP(EA), eV:	-9.45(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-(3-methoxypyrrolidin-1-yl)sulfonyl-3,5-dimethylpyrazol-1-yl]propan-1-ol

Drug info:

PubChemData

Smile

COC1CN(CC1OC)CC2=CC(=NO2)C(=O)NN

DOS

IR

Vibrations