Geometry & MOs

Info

ID:	374949
PubChem CID:	131407735
Reduced:	NSO4H9C10 (1)
Stoich.:	ABC4D9E10 (1)
Weight, g/mol:	221.087435
ΔH_f, kcal/mol:	-45.65
Dipole, Da:	5.96
IP(EA), eV:	-8.8(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethoxy-7-ethyl-1-benzothiophen-3-amine

Drug info:

PubChemData

Smile

CCOC1=C(C=C2C=CSC2=C1O)[N+](=O)[O-]

DOS

IR

Vibrations