Geometry & MOs

Info

ID:	172438
PubChem CID:	75510209
Reduced:	N2O2F3H11C15 (1)
Stoich.:	A2B2C3D11E15 (1)
Weight, g/mol:	277.132746
ΔH_f, kcal/mol:	-162.97
Dipole, Da:	2.18
IP(EA), eV:	-9.41(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(Z)-1-[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]prop-1-en-2-yl]pyrazine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)C(F)(F)F)C2=CC=C(O2)CNC(=O)CC#N

DOS

IR

Vibrations