Geometry & MOs

Info

ID:	427867
PubChem CID:	135164694
Reduced:	BrClN2O2C19H20 (1)
Stoich.:	ABC2D2E19F20 (1)
Weight, g/mol:	450.10735
ΔH_f, kcal/mol:	-13.0
Dipole, Da:	3.15
IP(EA), eV:	-9.23(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[3-[(2-bromo-4-chlorophenyl)methoxy]-5-propan-2-ylphenyl]methyl]-1-pyrrolidin-3-ylmethanamine

Drug info:

PubChemData

Smile

C1C(CN1)CNCC(=O)C2=CC=CC=C2OCC3=C(C=C(C=C3)Cl)Br

DOS

IR

Vibrations