Geometry & MOs

Info

ID:	270585
PubChem CID:	103637187
Reduced:	BrNO2C16H18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	335.05209
ΔH_f, kcal/mol:	-44.94
Dipole, Da:	5.19
IP(EA), eV:	-8.85(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[[(3-ethoxyphenyl)methylamino]methyl]phenol

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations