Geometry & MOs

Info

ID:	127120
PubChem CID:	50991245
Reduced:	FO4N5C26H30 (1)
Stoich.:	AB4C5D26E30 (1)
Weight, g/mol:	474.191657
ΔH_f, kcal/mol:	-138.03
Dipole, Da:	8.35
IP(EA), eV:	-9.02(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[(3Z)-3-(7-pyridin-3-ylimidazo[4,5-c]pyridin-2-ylidene)-1,2-dihydroindazol-5-yl]pyridin-3-yl]butanamide

Drug info:

PubChemData

Smile

CC1=C(C2=C(N1)C(=NC=N2)C3=CC(=C(C=C3OCC4CC4)F)OC)C(=O)NC5CCN(CC5)C(=O)C

DOS

IR

Vibrations