Geometry & MOs

Info

ID:	149714
PubChem CID:	53789389
Reduced:	P2O8C45H46 (1)
Stoich.:	A2B8C45D46 (1)
Weight, g/mol:	281.105193
ΔH_f, kcal/mol:	-345.61
Dipole, Da:	5.65
IP(EA), eV:	-9.08(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-3-(3-hydroxyphenyl)-6-(1,2-oxazol-3-ylidene)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CCC(C1=C(C=CC=C1OP(=O)(OCC2=CC=CC=C2)OCC3=CC=CC=C3)C)C4=C(C=CC=C4OP(=O)(OCC5=CC=CC=C5)OCC6=CC=CC=C6)C

DOS

IR

Vibrations