Geometry & MOs

Info

ID:	224538
PubChem CID:	85344631
Reduced:	NO2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	201.036068
ΔH_f, kcal/mol:	-22.87
Dipole, Da:	8.9
IP(EA), eV:	-9.68(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-prop-2-ynylsulfanyl-1,2,4-benzotriazine

Drug info:

PubChemData

Smile

CCOC1C=CC2=NC(=O)C=C(C2=C1)C

DOS

IR

Vibrations