Geometry & MOs

Info

ID:	199394
PubChem CID:	79241240
Reduced:	ClN3C14H22 (1)
Stoich.:	AB3C14D22 (1)
Weight, g/mol:	272.046489
ΔH_f, kcal/mol:	13.77
Dipole, Da:	1.81
IP(EA), eV:	-8.66(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(6-chloropyridin-2-yl)methyl]-1,2,3-benzotriazin-4-one

Drug info:

PubChemData

Smile

CCCN(CC1=NC(=CC=C1)Cl)C2CCNCC2

DOS

IR

Vibrations