Geometry & MOs

Info

ID:	401628
PubChem CID:	135051893
Reduced:	N2O2H14C17 (1)
Stoich.:	A2B2C14D17 (1)
Weight, g/mol:	328.95256
ΔH_f, kcal/mol:	9.31
Dipole, Da:	4.55
IP(EA), eV:	-9.49(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-6-(2,6-dichlorophenyl)-3-methyltriazolo[5,1-c][1,4]oxazin-4-one

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)N=C=NC2=CC=C(C=C2)C(=O)C

DOS

IR

Vibrations