Geometry & MOs

Info

ID:	156428
PubChem CID:	56370552
Reduced:	NO2C13H15 (2)
Stoich.:	AB2C13D15 (2)
Weight, g/mol:	436.211055
ΔH_f, kcal/mol:	-119.45
Dipole, Da:	5.28
IP(EA), eV:	-8.29(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[2-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-yl]-2-oxoethyl]-1,2,3-benzotriazin-4-one

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=CC1=O)C(=O)N3CCCCC3CCC4=CC(=C(C=C4)OC)OC

DOS

IR

Vibrations