Geometry & MOs

Info

ID:	137609
PubChem CID:	52233688
Reduced:	O3N4H14C16 (1)
Stoich.:	A3B4C14D16 (1)
Weight, g/mol:	280.072703
ΔH_f, kcal/mol:	-2.63
Dipole, Da:	8.3
IP(EA), eV:	-8.43(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-(3-methoxypropyl)-1,2,4-benzotriazine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)C2=NC3=C(C=CC(=C3)OC)N=N2

DOS

IR

Vibrations