Geometry & MOs

Info

ID:	372505
PubChem CID:	131298916
Reduced:	NO4C8H15 (1)
Stoich.:	AB4C8D15 (1)
Weight, g/mol:	223.0667
ΔH_f, kcal/mol:	-135.15
Dipole, Da:	4.45
IP(EA), eV:	-10.83(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-aminoethyl)-7-methoxy-1-benzothiophen-3-ol

Drug info:

PubChemData

Smile

CC1([C@H](C(O[C@H]1O)(C)C)[N+](=O)[O-])C

DOS

IR

Vibrations