Geometry & MOs

Info

ID:	287325
PubChem CID:	104236651
Reduced:	BrClNO2C16H17 (1)
Stoich.:	ABCD2E16F17 (1)
Weight, g/mol:	257.118257
ΔH_f, kcal/mol:	-43.81
Dipole, Da:	3.86
IP(EA), eV:	-8.96(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-chloro-4-(2-methoxypropoxy)phenyl]-N-methylethanamine

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1)OCC2=C(C=CC(=C2)Br)OC)Cl)N

DOS

IR

Vibrations