Geometry & MOs

Info

ID:	309868
PubChem CID:	126563366
Reduced:	NO4C10H11 (1)
Stoich.:	AB4C10D11 (1)
Weight, g/mol:	420.138639
ΔH_f, kcal/mol:	-153.67
Dipole, Da:	4.21
IP(EA), eV:	-10.3(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-5-[(2Z)-2-(5-phenyl-1,2-dihydropyrazolo[4,3-b]pyridin-3-ylidene)indol-4-yl]phenol

Drug info:

PubChemData

Smile

COC(=O)N1C(=O)C2CC=CCC2C1=O

DOS

IR

Vibrations