Geometry & MOs

Info

ID:	225363
PubChem CID:	85756515
Reduced:	SN2O3C16H18 (1)
Stoich.:	AB2C3D16E18 (1)
Weight, g/mol:	344.221226
ΔH_f, kcal/mol:	-69.9
Dipole, Da:	3.67
IP(EA), eV:	-8.16(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-octoxy-6-pyrrolidin-1-yl-6H-1,2,3-benzotriazin-4-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC(=O)NC2=CC(=CC=C2)SC)OC

DOS

IR

Vibrations