Geometry & MOs

Info

ID:	441168
PubChem CID:	135233401
Reduced:	ON5C28H39 (1)
Stoich.:	AB5C28D39 (1)
Weight, g/mol:	366.115299
ΔH_f, kcal/mol:	-22.4
Dipole, Da:	6.59
IP(EA), eV:	-8.04(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[5-(5-aminopyridin-3-yl)-3-(2,2-difluoroethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1(CCC(CC1NC(=O)C2=CC3=C(C=C2)NC=C3)C4=NC(=C(C=C4)NCC(C)(C)C)NC)C

DOS

IR

Vibrations