Geometry & MOs

Info

ID:	401724
PubChem CID:	135052288
Reduced:	Cl2N3C6H12 (1)
Stoich.:	A2B3C6D12 (1)
Weight, g/mol:	262.050905
ΔH_f, kcal/mol:	11.97
Dipole, Da:	1.64
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.861391
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-2-hydroxy-2-(pyridin-2-ylamino)ethanone

Drug info:

PubChemData

Smile

CN(C(=[N+]=C(Cl)N(C)C)Cl)C

DOS

IR

Vibrations