Geometry & MOs

Info

ID:	309864
PubChem CID:	126563048
Reduced:	BrFN3O3C14H17 (1)
Stoich.:	ABC3D3E14F17 (1)
Weight, g/mol:	476.176087
ΔH_f, kcal/mol:	-81.95
Dipole, Da:	1.4
IP(EA), eV:	-9.19(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-(3-fluorophenyl)pyrrolo[3,2-c]pyridin-2-ylidene]-1,2-dihydroindazol-5-yl]pyridin-3-yl]propanamide

Drug info:

PubChemData

Smile

CC1(OCC(O1)CON=C2CN(C2)C3=C(C=C(C=N3)Br)F)C

DOS

IR

Vibrations