Geometry & MOs

Info

ID:	170859
PubChem CID:	75287031
Reduced:	Cl2N3O3H18C19 (1)
Stoich.:	A2B3C3D18E19 (1)
Weight, g/mol:	378.181767
ΔH_f, kcal/mol:	-97.23
Dipole, Da:	4.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.055239
Charge, e:	1

Chem-info

IUPAC name:

N-(2,3-dihydro-1H-inden-5-yl)-2-(2,4-dioxo-3-propyl-4aH-quinazolin-1-ium-1-yl)acetamide

Drug info:

PubChemData

Smile

CCCN1C(=O)C2C=CC=CC2=[N+](C1=O)CC(=O)NC3=CC(=CC(=C3)Cl)Cl

DOS

IR

Vibrations