Geometry & MOs

Info

ID:	150447
PubChem CID:	53790137
Reduced:	O3C24H26 (1)
Stoich.:	A3B24C26 (1)
Weight, g/mol:	355.141973
ΔH_f, kcal/mol:	-55.16
Dipole, Da:	3.42
IP(EA), eV:	-8.46(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-oxo-4-prop-2-enyl-1,4-benzoxazin-6-yl)-2-propanoylcyclohexane-1,3-dione

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)OC)(C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC

DOS

IR

Vibrations