Geometry & MOs

Info

ID:	449449
PubChem CID:	135298687
Reduced:	OF3N3C11H12 (1)
Stoich.:	AB3C3D11E12 (1)
Weight, g/mol:	597.265237
ΔH_f, kcal/mol:	-148.22
Dipole, Da:	4.67
IP(EA), eV:	-8.68(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-fluoro-5-[(2Z)-2-[5-(5-phenylmethoxypyridin-3-yl)-1,2-dihydroindazol-3-ylidene]pyrrolo[3,2-c]pyridin-4-yl]phenyl]-N',N'-dimethylethane-1,2-diamine

Drug info:

PubChemData

Smile

CC1C=C(N(N1)C2=CC(=CC=C2)OC(F)(F)F)N

DOS

IR

Vibrations