Geometry & MOs

Info

ID:	199864
PubChem CID:	79310119
Reduced:	NO2C13H21 (1)
Stoich.:	AB2C13D21 (1)
Weight, g/mol:	391.92486
ΔH_f, kcal/mol:	-71.16
Dipole, Da:	2.71
IP(EA), eV:	-8.28(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-bromothiophen-2-yl)sulfonylazetidin-3-yl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CCCCN(C)CC1=CC(=C(C=C1)OC)O

DOS

IR

Vibrations