Geometry & MOs

Info

ID:	445870
PubChem CID:	135269847
Reduced:	O3N6C26H32 (1)
Stoich.:	A3B6C26D32 (1)
Weight, g/mol:	415.125609
ΔH_f, kcal/mol:	-4.1
Dipole, Da:	4.43
IP(EA), eV:	-8.48(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(5-methylcyclohexa-1,3-dien-1-yl)-1,3,4-oxadiazol-2-yl]-5-[3-(trifluoromethoxy)phenyl]pyrazin-2-amine

Drug info:

PubChemData

Smile

CCCOC1=CC=CC=C1C2=NN(C(O2)C3=C(N(CC(=N3)C4=CC=C(C=C4)C(=O)N(C)C)C)N)C

DOS

IR

Vibrations