Geometry & MOs

Info

ID:	374154
PubChem CID:	131324584
Reduced:	O2C5H9 (2)
Stoich.:	A2B5C9 (2)
Weight, g/mol:	304.89129
ΔH_f, kcal/mol:	-211.69
Dipole, Da:	4.77
IP(EA), eV:	-10.18(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(bromomethyl)-2-chloro-4-nitro-1-benzothiophene

Drug info:

PubChemData

Smile

CC1(C(C(CCO1)O)CCC(=O)O)C

DOS

IR

Vibrations