Geometry & MOs

Info

ID:	280444
PubChem CID:	103849330
Reduced:	N2O3C12H16 (1)
Stoich.:	A2B3C12D16 (1)
Weight, g/mol:	279.092915
ΔH_f, kcal/mol:	-111.12
Dipole, Da:	5.38
IP(EA), eV:	-9.68(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-hydroxyoxolan-3-yl)methyl]-2,3-dihydro-1-benzothiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(N=CC=C1)C(=O)NCC2(CCOC2)O

DOS

IR

Vibrations