Geometry & MOs

Info

ID:	433967
PubChem CID:	135174114
Reduced:	NO5C11H21 (1)
Stoich.:	AB5C11D21 (1)
Weight, g/mol:	394.04475
ΔH_f, kcal/mol:	-219.21
Dipole, Da:	2.83
IP(EA), eV:	-9.84(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(C)OC(O)ON1C(CCC1=O)CO

DOS

IR

Vibrations