Geometry & MOs

Info

ID:	434073
PubChem CID:	135174230
Reduced:	BrClN3C21H25 (1)
Stoich.:	ABC3D21E25 (1)
Weight, g/mol:	394.04475
ΔH_f, kcal/mol:	49.1
Dipole, Da:	2.05
IP(EA), eV:	-8.96(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(NC1CN)CNCC2=CC(=CC=C2)/C=C/C3=C(C=C(C=C3)Cl)Br

DOS

IR

Vibrations