Geometry & MOs

Info

ID:	433964
PubChem CID:	135174111
Reduced:	BrClN2C22H26 (1)
Stoich.:	ABC2D22E26 (1)
Weight, g/mol:	408.0604
ΔH_f, kcal/mol:	38.72
Dipole, Da:	2.5
IP(EA), eV:	-9.04(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations