Geometry & MOs

Info

ID:	309778
PubChem CID:	126558286
Reduced:	F2O3N5H23C26 (1)
Stoich.:	A2B3C5D23E26 (1)
Weight, g/mol:	526.21689
ΔH_f, kcal/mol:	-52.03
Dipole, Da:	5.72
IP(EA), eV:	-8.88(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3Z)-3-[4-(3-fluorophenyl)-6-methyl-6,7-dihydroindol-2-ylidene]-5-(5-phenylmethoxypyridin-3-yl)-1,2-dihydroindazole

Drug info:

PubChemData

Smile

CC1(C(=O)N(CCN1C(=O)N(C)C2=C(C=C(C=C2F)C#CC3=CC=CC=C3)F)C4=CNN=C4)CC=O

DOS

IR

Vibrations