Geometry & MOs

Info

ID:	28047
PubChem CID:	825309
Reduced:	BrN2O2C13H17 (1)
Stoich.:	AB2C2D13E17 (1)
Weight, g/mol:	190.074228
ΔH_f, kcal/mol:	-91.21
Dipole, Da:	3.18
IP(EA), eV:	-9.15(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethylquinazoline-2,4-dione

Drug info:

PubChemData

Smile

CC(C)C[C@H](C(=O)NC1=CC=CC=C1C(=O)N)Br

DOS

IR

Vibrations