Geometry & MOs

Info

ID:	200897
PubChem CID:	79459737
Reduced:	FNOC14H20 (1)
Stoich.:	ABCD14E20 (1)
Weight, g/mol:	269.189198
ΔH_f, kcal/mol:	-69.59
Dipole, Da:	1.91
IP(EA), eV:	-9.26(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethyl-3-methyl-5-[[3-(2-methylphenyl)azetidin-3-yl]methyl]pyrazole

Drug info:

PubChemData

Smile

CC(C)OCCC1(CNC1)C2=CC=CC=C2F

DOS

IR

Vibrations