Geometry & MOs

Info

ID:	135552
PubChem CID:	51891355
Reduced:	Cl2N3C12H15 (1)
Stoich.:	A2B3C12D15 (1)
Weight, g/mol:	272.072128
ΔH_f, kcal/mol:	44.14
Dipole, Da:	5.67
IP(EA), eV:	-8.84(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[[(S)-cyano-(3,4-dichlorophenyl)methyl]amino]ethyl-dimethylazanium

Drug info:

PubChemData

Smile

CN(C)CCN[C@@H](C#N)C1=CC(=C(C=C1)Cl)Cl

DOS

IR

Vibrations