Geometry & MOs

Info

ID:	388699
PubChem CID:	134989922
Reduced:	ON3H11C14 (1)
Stoich.:	AB3C11D14 (1)
Weight, g/mol:	201.053826
ΔH_f, kcal/mol:	72.8
Dipole, Da:	1.72
IP(EA), eV:	-8.99(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyltriazolo[5,1-c][1,4]benzoxazin-4-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NNN(C2=O)C3=CC=CC=C3

DOS

IR

Vibrations