Geometry & MOs

Info

ID:	188657
PubChem CID:	77749259
Reduced:	ON2C12H24 (1)
Stoich.:	AB2C12D24 (1)
Weight, g/mol:	425.06131
ΔH_f, kcal/mol:	-84.13
Dipole, Da:	5.11
IP(EA), eV:	-9.3(1.31)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-(3-bromophenyl)-1-(3-imidazol-1-ylpropyl)-4aH-quinazolin-1-ium-2,4-dione

Drug info:

PubChemData

Smile

CCC(C)(C)CCNCC1CCC(=O)N1

DOS

IR

Vibrations