Geometry & MOs

Info

ID:	280485
PubChem CID:	103849541
Reduced:	ClNO3C15H18 (1)
Stoich.:	ABC3D15E18 (1)
Weight, g/mol:	291.092915
ΔH_f, kcal/mol:	-120.6
Dipole, Da:	2.84
IP(EA), eV:	-9.41(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)/C=C/C(=O)NCC2(CCOC2)O)Cl

DOS

IR

Vibrations