Geometry & MOs

Info

ID:	170858
PubChem CID:	75287030
Reduced:	ClN3O5C21H21 (1)
Stoich.:	AB3C5D21E21 (1)
Weight, g/mol:	406.072522
ΔH_f, kcal/mol:	-170.61
Dipole, Da:	4.94
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.055589
Charge, e:	1

Chem-info

IUPAC name:

N-(3,5-dichlorophenyl)-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=C(C=CC(=C3)Cl)C(=O)OC

DOS

IR

Vibrations