Geometry & MOs

Info

ID:	200838
PubChem CID:	79450740
Reduced:	N2O2C13H24 (1)
Stoich.:	A2B2C13D24 (1)
Weight, g/mol:	269.165876
ΔH_f, kcal/mol:	-94.88
Dipole, Da:	2.87
IP(EA), eV:	-9.12(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-1-ethyl-3-methyl-5-[[3-(2-methylpropyl)azetidin-3-yl]methyl]pyrazole

Drug info:

PubChemData

Smile

CCN1C(=CC(=N1)C)CC(CO)(CO)C(C)C

DOS

IR

Vibrations