Geometry & MOs

Info

ID:	28026
PubChem CID:	825074
Reduced:	ClNO2H12C16 (1)
Stoich.:	ABC2D12E16 (1)
Weight, g/mol:	257.071975
ΔH_f, kcal/mol:	-33.24
Dipole, Da:	5.37
IP(EA), eV:	-9.41(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(4-chloroanilino)-2-pyridin-3-ylpropanenitrile

Drug info:

PubChemData

Smile

C[C@]1(C(=O)C2=CC=CC=C2N(C1=O)C3=CC=CC=C3)Cl

DOS

IR

Vibrations