Geometry & MOs

Info

ID:	227847
PubChem CID:	87562695
Reduced:	Cl2O2F3N3C26H29 (1)
Stoich.:	A2B2C3D3E26F29 (1)
Weight, g/mol:	320.116092
ΔH_f, kcal/mol:	-178.61
Dipole, Da:	6.75
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753222
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-2-(4-phenylmethoxyphenyl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@]1(CCNC1)[N+](C)([C@@H](CC2=CC=C(C=C2)C(F)(F)F)C(=O)N)C(=O)C3(CC3)C4=C(C=C(C=C4)Cl)Cl

DOS

IR

Vibrations