Geometry & MOs

Info

ID:	222423
PubChem CID:	85300656
Reduced:	NO4H17C19 (1)
Stoich.:	AB4C17D19 (1)
Weight, g/mol:	326.163043
ΔH_f, kcal/mol:	-89.78
Dipole, Da:	2.47
IP(EA), eV:	-9.64(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzoyl-1-hepta-1,6-dien-4-yl-5-methyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

CC1C(N=C(O1)C2=CC=CC=C2)C(=O)OCC(=O)C3=CC=CC=C3

DOS

IR

Vibrations