Geometry & MOs

Info

ID:	373538
PubChem CID:	131316625
Reduced:	NOCl2C11H15 (1)
Stoich.:	ABC2D11E15 (1)
Weight, g/mol:	286.92518
ΔH_f, kcal/mol:	-56.92
Dipole, Da:	3.54
IP(EA), eV:	-9.35(-0.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-bromo-7-nitro-1-benzothiophen-2-yl)methanol

Drug info:

PubChemData

Smile

CC(C)[C@H]([C@H](C1=CC(=C(C=C1)Cl)Cl)O)N

DOS

IR

Vibrations