Geometry & MOs

Info

ID:	84775
PubChem CID:	49869806
Reduced:	F4N4O4H14C23 (1)
Stoich.:	A4B4C4D14E23 (1)
Weight, g/mol:	517.222623
ΔH_f, kcal/mol:	-206.41
Dipole, Da:	1.79
IP(EA), eV:	-8.93(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(6-cyclopropylpyridin-3-yl)-N-[3-[4-(1-pyridin-3-yloxypropan-2-yl)-1,2,4-triazol-3-yl]phenyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CN2C3=C(C=C(C=C3)C4=NOC(=N4)C5=CC(=CC(=C5)C#N)OC(F)(F)F)C(=C2C1CC(=O)O)F

DOS

IR

Vibrations