Geometry & MOs

Info

ID:	84669
PubChem CID:	49869239
Reduced:	O2F3N8H17C21 (1)
Stoich.:	A2B3C8D17E21 (1)
Weight, g/mol:	490.128898
ΔH_f, kcal/mol:	-63.48
Dipole, Da:	7.59
IP(EA), eV:	-9.46(-1.9)
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-(1,1,2,2,2-pentafluoroethyl)imidazol-1-yl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C1CC1N2C=NN=C2C3=NC(=CC=C3)NC(=O)C4=NC=CC(=C4)N5C=C(N=C5)C(C(F)(F)F)O

DOS

IR

Vibrations