Geometry & MOs

Info

ID:	263262
PubChem CID:	103350267
Reduced:	BrNOC16H18 (1)
Stoich.:	ABCD16E18 (1)
Weight, g/mol:	257.04153
ΔH_f, kcal/mol:	-6.72
Dipole, Da:	2.08
IP(EA), eV:	-8.8(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5-(2-methylpropoxymethyl)aniline

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1OCC2=CC(=CC(=C2)Br)N

DOS

IR

Vibrations