Geometry & MOs

Info

ID:	55066
PubChem CID:	17389722
Reduced:	ClON2C5H8 (2)
Stoich.:	ABC2D5E8 (2)
Weight, g/mol:	343.157229
ΔH_f, kcal/mol:	-48.36
Dipole, Da:	0.95
IP(EA), eV:	-9.48(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R)-2-(benzhydrylideneamino)-3-phenylpropanoate

Drug info:

PubChemData

Smile

C1CNCCN(C1)C2=C(C=CC=N2)[N+](=O)[O-].Cl.Cl

DOS

IR

Vibrations