Geometry & MOs

Info

ID:	43120
PubChem CID:	10318849
Reduced:	OF3N5H18C20 (1)
Stoich.:	AB3C5D18E20 (1)
Weight, g/mol:	401.147452
ΔH_f, kcal/mol:	-102.49
Dipole, Da:	5.16
IP(EA), eV:	-9.02(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3E)-5-hydroxy-3-hydroxyimino-2-(3,4,5-trimethoxyphenyl)cyclopenten-1-yl]-2-methoxyphenol

Drug info:

PubChemData

Smile

C1COCCN1C2=NC(=CC(=N2)NC3=CN=CC=C3)C4=CC(=CC=C4)C(F)(F)F

DOS

IR

Vibrations