Geometry & MOs

Info

ID:	40020
PubChem CID:	8143430
Reduced:	O3N4C23H24 (1)
Stoich.:	A3B4C23D24 (1)
Weight, g/mol:	273.171536
ΔH_f, kcal/mol:	-44.82
Dipole, Da:	10.32
IP(EA), eV:	-8.74(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[[(2R)-2-ethylpiperidin-1-ium-1-yl]methyl]-1,2,3-benzotriazin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)C)NC(=O)CN(C)CC2=NC(=O)C3=C(N2)C4=CC=CC=C4O3)C

DOS

IR

Vibrations