Geometry & MOs

Info

ID:	433975
PubChem CID:	135174125
Reduced:	OCl2N2C19H22 (1)
Stoich.:	AB2C2D19E22 (1)
Weight, g/mol:	436.0917
ΔH_f, kcal/mol:	-10.14
Dipole, Da:	1.87
IP(EA), eV:	-8.96(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CNCC1CNCC2=CC=C(C=C2)OCC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations