Geometry & MOs

Info

ID:	33085
PubChem CID:	7850945
Reduced:	NO2C21H21 (1)
Stoich.:	AB2C21D21 (1)
Weight, g/mol:	351.121906
ΔH_f, kcal/mol:	-24.95
Dipole, Da:	3.03
IP(EA), eV:	-8.71(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-oxo-1,2,3-benzotriazin-3-yl)methyl (E)-3-(2-ethoxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

C[C@H](CNC(=O)COC1=CC=CC2=CC=CC=C21)C3=CC=CC=C3

DOS

IR

Vibrations