Geometry & MOs

Info

ID:	419300
PubChem CID:	135107912
Reduced:	NSO2C8H10 (2)
Stoich.:	ABC2D8E10 (2)
Weight, g/mol:	299.199762
ΔH_f, kcal/mol:	-102.29
Dipole, Da:	4.75
IP(EA), eV:	-9.22(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[3-(2-ethylphenoxy)azetidin-1-yl]methyl]-1-propan-2-ylimidazole

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)S(=O)(=O)N2CCC3(CC2)C4=C(CCO3)SC=C4

DOS

IR

Vibrations