Geometry & MOs

Info

ID:	400997
PubChem CID:	135049714
Reduced:	BrNOH14C16 (1)
Stoich.:	ABCD14E16 (1)
Weight, g/mol:	290.075786
ΔH_f, kcal/mol:	4.41
Dipole, Da:	5.82
IP(EA), eV:	-8.96(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

iron;1-methylnaphthalene;toluene

Drug info:

PubChemData

Smile

C1CC(=CC(=O)C1)NC2=C(C3=CC=CC=C3C=C2)Br

DOS

IR

Vibrations