Geometry & MOs

Info

ID:	172407
PubChem CID:	75504955
Reduced:	N4O4H14C15 (1)
Stoich.:	A4B4C14D15 (1)
Weight, g/mol:	288.085855
ΔH_f, kcal/mol:	30.56
Dipole, Da:	5.53
IP(EA), eV:	-9.66(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6Z)-3-methoxy-6-[3-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-2H-1,2,4-oxadiazol-5-ylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

CN(CC1=CN(N=C1)CC#C)C(=O)C2=CC(=C(C=C2)O)[N+](=O)[O-]

DOS

IR

Vibrations