Geometry & MOs

Info

ID:	434074
PubChem CID:	135174231
Reduced:	BrClON2C18H20 (1)
Stoich.:	ABCD2E18F20 (1)
Weight, g/mol:	436.0917
ΔH_f, kcal/mol:	6.61
Dipole, Da:	2.0
IP(EA), eV:	-9.11(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[(2-bromo-4-chlorophenyl)methoxy]phenyl]-N-(pyrrolidin-3-ylmethyl)propan-1-amine

Drug info:

PubChemData

Smile

C1CNCC1CNCC2=CC=C(C=C2)OC3=C(C=C(C=C3)Cl)Br

DOS

IR

Vibrations