Geometry & MOs

Info

ID:	270584
PubChem CID:	103637184
Reduced:	NCl2O2C16H17 (1)
Stoich.:	AB2C2D16E17 (1)
Weight, g/mol:	335.05209
ΔH_f, kcal/mol:	-63.06
Dipole, Da:	4.4
IP(EA), eV:	-8.88(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[[2-(3-methoxyphenyl)ethylamino]methyl]phenol

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CCNCC2=C(C(=CC(=C2)Cl)Cl)O

DOS

IR

Vibrations