Geometry & MOs

Info

ID:	197169
PubChem CID:	78931544
Reduced:	NO3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	281.062283
ΔH_f, kcal/mol:	-51.36
Dipole, Da:	2.77
IP(EA), eV:	-9.02(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-cyanopyridin-2-yl)-2,3-dihydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OCC2=CC=NO2)[C@@H](C)O

DOS

IR

Vibrations