Geometry & MOs

Info

ID:	436402
PubChem CID:	135199924
Reduced:	OSN2C17H24 (1)
Stoich.:	ABC2D17E24 (1)
Weight, g/mol:	221.189198
ΔH_f, kcal/mol:	-25.74
Dipole, Da:	3.38
IP(EA), eV:	-8.68(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butan-2-yl-1-(1-propan-2-ylazetidin-3-yl)pyrazole

Drug info:

PubChemData

Smile

CSN1CCN(CC1)C(=O)C2(CCCC2)C3=CC=CC=C3

DOS

IR

Vibrations