Geometry & MOs

Info

ID:	338622
PubChem CID:	127259633
Reduced:	ClO2N4H9C12 (1)
Stoich.:	AB2C4D9E12 (1)
Weight, g/mol:	341.083664
ΔH_f, kcal/mol:	80.29
Dipole, Da:	8.48
IP(EA), eV:	-9.31(-1.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-difluoro-N-[(3Z)-3-purin-8-ylidene-1,2-dihydropyrazol-4-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=N/NC2=NC=C(C(=C2)Cl)[N+](=O)[O-]

DOS

IR

Vibrations