Geometry & MOs

Info

ID:	443918
PubChem CID:	135260518
Reduced:	ON6C29H30 (1)
Stoich.:	AB6C29D30 (1)
Weight, g/mol:	518.147822
ΔH_f, kcal/mol:	73.26
Dipole, Da:	7.35
IP(EA), eV:	-8.58(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-[1-(difluoromethyl)pyrazol-4-yl]phenoxy]-3-[4-[1-(difluoromethyl)pyrazol-4-yl]phenyl]imidazo[1,2-a]pyridine

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(=O)C2=CC3=C(C=C2)C=C(C=C3)C4=CN=C5C(=C4N6CCC(CC6)C#N)C=CN5

DOS

IR

Vibrations