Geometry & MOs

Info

ID:	441173
PubChem CID:	135233411
Reduced:	N2O6C31H40 (1)
Stoich.:	A2B6C31D40 (1)
Weight, g/mol:	395.130614
ΔH_f, kcal/mol:	-244.88
Dipole, Da:	6.96
IP(EA), eV:	-8.49(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[5-[6-(difluoromethoxy)pyridin-2-yl]-3-propan-2-ylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carbonitrile

Drug info:

PubChemData

Smile

CC(C)CCC1=CC2=C(C=C1)C=C(O2)CCC(C)C(=O)C3=C(C=C(OC3=O)C(C)CC/C=C/NC(=O)OC)N

DOS

IR

Vibrations