Geometry & MOs

Info

ID:	166169
PubChem CID:	74644733
Reduced:	N2O2C7H8 (2)
Stoich.:	A2B2C7D8 (2)
Weight, g/mol:	458.15902
ΔH_f, kcal/mol:	-95.39
Dipole, Da:	7.08
IP(EA), eV:	-9.42(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-oxo-7,8-dihydro-[1,4]dioxino[2,3-g][1,2,3]benzotriazin-3-yl)-N-(4-phenoxyphenyl)butanamide

Drug info:

PubChemData

Smile

CCC(C(=O)NC)N1C(=O)C2=CC3=C(C=C2N=N1)OCCO3

DOS

IR

Vibrations