Geometry & MOs

Info

ID:	228346
PubChem CID:	87564031
Reduced:	O2N7C21H23 (1)
Stoich.:	A2B7C21D23 (1)
Weight, g/mol:	306.111676
ΔH_f, kcal/mol:	101.28
Dipole, Da:	7.81
IP(EA), eV:	-8.29(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-hydroxy-6-[4-(2-pyridin-3-ylethynyl)phenyl]-2H-pyrimidin-2-yl]hydroxylamine

Drug info:

PubChemData

Smile

CN1C(=NC2=C1N=C(N=C2N3CCOCC3)C4(NC5=CC=CC=C5N4)C6CC6)C=O

DOS

IR

Vibrations