Geometry & MOs

Info

ID:	411021
PubChem CID:	135083826
Reduced:	NOC14H21 (1)
Stoich.:	ABC14D21 (1)
Weight, g/mol:	211.91458
ΔH_f, kcal/mol:	-32.81
Dipole, Da:	2.41
IP(EA), eV:	-8.22(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

magnesium;benzenethiol;bromide

Drug info:

PubChemData

Smile

CCCCCC(=NC1=CC=C(C=C1)OC)C

DOS

IR

Vibrations