Geometry & MOs

Info

ID:	343247
PubChem CID:	127266420
Reduced:	NaN3O4C15H18 (1)
Stoich.:	AB3C4D15E18 (1)
Weight, g/mol:	217.056135
ΔH_f, kcal/mol:	-168.51
Dipole, Da:	9.66
IP(EA), eV:	-8.46(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-benzothiophen-3-ylmethyl)prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1=NC2=CC=CC=C2N1CC(=O)[O-].[Na+]

DOS

IR

Vibrations