Geometry & MOs

Info

ID:	227985
PubChem CID:	87563173
Reduced:	NPO6C11H23 (1)
Stoich.:	ABC6D11E23 (1)
Weight, g/mol:	345.122575
ΔH_f, kcal/mol:	-300.01
Dipole, Da:	12.67
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755255
Charge, e:	0

Chem-info

IUPAC name:

N-hydroxy-2-(methylamino)-6-[4-(2-pyridin-3-ylethynyl)phenyl]pyrimidine-4-carboxamide

Drug info:

PubChemData

Smile

CC(CC(COP(=O)(O)O)[N+](C)(C)C)OC(=O)C=C

DOS

IR

Vibrations