Geometry & MOs

Info

ID:	324482
PubChem CID:	126677743
Reduced:	SN2C20H24 (1)
Stoich.:	AB2C20D24 (1)
Weight, g/mol:	179.142248
ΔH_f, kcal/mol:	66.45
Dipole, Da:	3.49
IP(EA), eV:	-8.29(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3S)-2,2,3-trimethylpyrrolidin-1-yl]-1H-pyrazole

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NCS/C=C(/C2=C(C=C(C=C2)C)C)\N=C

DOS

IR

Vibrations