Geometry & MOs

Info

ID:	302917
PubChem CID:	124403658
Reduced:	O2C17H22 (1)
Stoich.:	A2B17C22 (1)
Weight, g/mol:	204.089878
ΔH_f, kcal/mol:	-81.55
Dipole, Da:	4.8
IP(EA), eV:	-9.29(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-6-(3-ethyl-4-methyl-1,2,4-oxadiazol-5-ylidene)cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

C[C@@]1(CC[C@H](C1(C)C)/C=C/C2=CC=CC=C2)C(=O)O

DOS

IR

Vibrations