Geometry & MOs

Info

ID:	82985
PubChem CID:	49856935
Reduced:	N2O7C34H52 (1)
Stoich.:	A2B7C34D52 (1)
Weight, g/mol:	209.03559
ΔH_f, kcal/mol:	-347.07
Dipole, Da:	8.23
IP(EA), eV:	-9.33(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-3,6-dimethyl-1,2,3-benzotriazin-4-one

Drug info:

PubChemData

Smile

CCCCN(CCCC)C(=O)O[C@H]1[C@H](C(OC2=C1C3=C(C=C2)C(=O)C=C(O3)CC)(C)C)OC(=O)N(CCCC)CCCC

DOS

IR

Vibrations