Geometry & MOs

Info

ID:	128810
PubChem CID:	51058864
Reduced:	ON2H18C24 (1)
Stoich.:	AB2C18D24 (1)
Weight, g/mol:	366.09429
ΔH_f, kcal/mol:	92.98
Dipole, Da:	1.5
IP(EA), eV:	-9.51(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,3-dimethyl-2-oxobutyl)-3-propylquinazolin-1-ium-4-one;bromide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NC3C2N=C(O3)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations