Geometry & MOs

Info

ID:	84668
PubChem CID:	49869232
Reduced:	ClON3C23H24 (1)
Stoich.:	ABC3D23E24 (1)
Weight, g/mol:	470.142656
ΔH_f, kcal/mol:	22.01
Dipole, Da:	2.4
IP(EA), eV:	-8.8(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)pyridin-2-yl]-4-[4-(2,2,2-trifluoro-1-hydroxyethyl)imidazol-1-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)Cl)C2=NC(=NC=C2)NC3CCC(CC3)C4=CC=CC=C4

DOS

IR

Vibrations