Geometry & MOs

Info

ID:	125206
PubChem CID:	50915054
Reduced:	FN3H9C10 (2)
Stoich.:	AB3C9D10 (2)
Weight, g/mol:	453.143704
ΔH_f, kcal/mol:	41.12
Dipole, Da:	7.27
IP(EA), eV:	-8.85(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[[2-[(3-hydroxyphenyl)methylamino]-3,4-dioxocyclobuten-1-yl]amino]-1H-indazol-3-yl]benzamide

Drug info:

PubChemData

Smile

C1CN(CCN1)C2=NN3C(=NC=C3CC4=C(C=C5C(=C4F)C=CC=N5)F)C=C2

DOS

IR

Vibrations