Geometry & MOs

Info

ID:	309858
PubChem CID:	126562631
Reduced:	BrFNOC8H9 (1)
Stoich.:	ABCDE8F9 (1)
Weight, g/mol:	476.196074
ΔH_f, kcal/mol:	-71.58
Dipole, Da:	2.96
IP(EA), eV:	-9.96(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-[4-(furan-3-yl)indol-2-ylidene]-1,2-dihydropyrazolo[4,3-b]pyridin-5-yl]pyridin-3-yl]-2,2-dimethylpropanamide

Drug info:

PubChemData

Smile

CC(C)(C1=C(N=CC(=C1)Br)F)O

DOS

IR

Vibrations