Geometry & MOs

Info

ID:	181654
PubChem CID:	76770311
Reduced:	FOSN4H17C20 (1)
Stoich.:	ABCD4E17F20 (1)
Weight, g/mol:	476.182155
ΔH_f, kcal/mol:	29.71
Dipole, Da:	1.61
IP(EA), eV:	-9.03(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,1-dimethyl-3-[5-[3-(7-pyridin-2-ylimidazo[4,5-c]pyridin-2-ylidene)-2,3a-dihydropyrazolo[3,4-b]pyridin-5-yl]pyridin-3-yl]urea

Drug info:

PubChemData

Smile

CC1=CC(N=C(S1)N)(C)C2=C(C=CC(=C2)CC(=O)C3=NC=C(C=C3)C#N)F

DOS

IR

Vibrations