Geometry & MOs

Info

ID:	291540
PubChem CID:	113384820
Reduced:	SN4C13H18 (1)
Stoich.:	AB4C13D18 (1)
Weight, g/mol:	257.119798
ΔH_f, kcal/mol:	67.77
Dipole, Da:	5.07
IP(EA), eV:	-8.89(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-tert-butylpyrrolidin-1-yl)sulfonyl-1H-pyrazole

Drug info:

PubChemData

Smile

CCNCC1=CC=C(C=C1)SCC2=NC=NN2C

DOS

IR

Vibrations