Geometry & MOs

Info

ID:	138271
PubChem CID:	52336798
Reduced:	OCl3N4C15H15 (1)
Stoich.:	AB3C4D15E15 (1)
Weight, g/mol:	390.218152
ΔH_f, kcal/mol:	20.56
Dipole, Da:	5.25
IP(EA), eV:	-8.62(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

benzyl-methyl-[2-oxo-2-[[(1S)-1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]amino]ethyl]azanium

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=C(C=C(C=C2)N3C(=O)C(=C(C=N3)Cl)Cl)Cl

DOS

IR

Vibrations