Geometry & MOs

Info

ID:	395607
PubChem CID:	135025972
Reduced:	N3O5H9C13 (1)
Stoich.:	A3B5C9D13 (1)
Weight, g/mol:	302.116761
ΔH_f, kcal/mol:	-60.89
Dipole, Da:	9.24
IP(EA), eV:	-10.02(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-methoxy-3,5-diphenyl-[1,2,4]triazolo[4,3-a]pyrazine

Drug info:

PubChemData

Smile

C1CN2C(=C(C3(C2=O)C4=CC=CC=C4C(=O)O3)[N+](=O)[O-])N1

DOS

IR

Vibrations