Geometry & MOs

Info

ID:	27441
PubChem CID:	821347
Reduced:	NO2C19H19 (1)
Stoich.:	AB2C19D19 (1)
Weight, g/mol:	311.17461
ΔH_f, kcal/mol:	-22.94
Dipole, Da:	1.63
IP(EA), eV:	-7.82(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-5-(2-piperidin-1-ylethyl)-[1,2,4]triazino[2,3-a]benzimidazol-3-one

Drug info:

PubChemData

Smile

CN1CCC2=CC(=C(C3=C2C1=CC4=CC=CC=C43)OC)OC

DOS

IR

Vibrations