Geometry & MOs

Info

ID:	374925
PubChem CID:	131407112
Reduced:	N3O3C10H13 (1)
Stoich.:	A3B3C10D13 (1)
Weight, g/mol:	256.991342
ΔH_f, kcal/mol:	-104.29
Dipole, Da:	5.54
IP(EA), eV:	-9.7(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(chloromethyl)-2-methoxy-7-nitro-1-benzothiophene

Drug info:

PubChemData

Smile

CC1=NC(=O)C2=C(N1)C(CN(C2)C)C(=O)O

DOS

IR

Vibrations