Geometry & MOs

Info

ID:	312689
PubChem CID:	126607378
Reduced:	FN5C20H24 (1)
Stoich.:	AB5C20D24 (1)
Weight, g/mol:	396.116859
ΔH_f, kcal/mol:	67.92
Dipole, Da:	5.83
IP(EA), eV:	-7.95(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-fluoro-4-[5-methyl-3-(2-methylsulfinylethyl)imidazo[4,5-b]pyridin-6-yl]-1H-pyrazolo[4,3-b]indole

Drug info:

PubChemData

Smile

CC(=C)/C(=C\N=C(C)N1CCCC1)/N2C(=C)C=NNC3=C2C=CC(=C3)F

DOS

IR

Vibrations