Geometry & MOs

Info

ID:	189382
PubChem CID:	77847786
Reduced:	OF2N8C22H22 (1)
Stoich.:	AB2C8D22E22 (1)
Weight, g/mol:	375.161915
ΔH_f, kcal/mol:	14.77
Dipole, Da:	7.49
IP(EA), eV:	-9.12(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,3R)-2-(2,4-difluorophenyl)-3-(6,8-dihydro-5H-[1,2,4]triazolo[1,5-a]pyrazin-7-yl)-1-(1,2,4-triazol-1-yl)butan-2-ol

Drug info:

PubChemData

Smile

C[C@H]([C@](CN1C=NC=N1)(C2=C(C=C(C=C2)F)F)O)N3CCN4C=C(N=C4C3)C5=CN=CN=C5

DOS

IR

Vibrations