Geometry & MOs

Info

ID:	176331
PubChem CID:	76034625
Reduced:	N3O5C16H19 (1)
Stoich.:	A3B5C16D19 (1)
Weight, g/mol:	326.080863
ΔH_f, kcal/mol:	-177.23
Dipole, Da:	8.37
IP(EA), eV:	-10.23(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-amino-1-(3-chlorophenyl)-4,11-dihydro-1H-[1,3,5]triazino[1,2-a]quinazolin-11-ium-6-one

Drug info:

PubChemData

Smile

CCCC(C(=O)NCCC(=O)O)N1C(=O)C2C=CC=CC2=NC1=O

DOS

IR

Vibrations