Geometry & MOs

Info

ID:	309668
PubChem CID:	126553349
Reduced:	OF4C22H26 (1)
Stoich.:	AB4C22D26 (1)
Weight, g/mol:	446.165523
ΔH_f, kcal/mol:	-240.99
Dipole, Da:	3.02
IP(EA), eV:	-8.86(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3Z)-3-[4-(3-fluoro-5-methylphenyl)cyclohepta[b]pyrrol-2-ylidene]-1,2-dihydropyrazolo[3,4-c]pyridin-5-yl]pyridin-3-amine

Drug info:

PubChemData

Smile

CC(C)(CCC(C)(C)C1=CC(=C(C=C1)F)C(F)(F)F)C2=CC(=CC=C2)OC

DOS

IR

Vibrations