Geometry & MOs

Info

ID:

320115

PubChem CID:

126658303

Reduced:

FO3N5C28H33 (2)

Stoich.:

AB3C5D28E33 (2)

Weight, g/mol:

382.154209

ΔHf, kcal/mol:

-257.93

Dipole, Da:

4.34

IP(EA), eV:

 -8.34(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(6-cyclopropylpyridin-3-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCC[C@H]1C2=NC3=C(N2)C=C(C=C3)[C@H]4CC[C@@H](N4C5=CC(=C(C(=C5)F)N6CCC(C6)C7=CC=CC=C7)F)C8=CC9=C(C=C8)N=C(N9)[C@@H]1CCCN1C(=O)C(C(C)C)NC(=O)OC)NC(=O)OC

DOS

IR

Vibrations