Geometry & MOs

Info

ID:	217113
PubChem CID:	85087277
Reduced:	ClNO6C14H20 (1)
Stoich.:	ABC6D14E20 (1)
Weight, g/mol:	333.007182
ΔH_f, kcal/mol:	-267.53
Dipole, Da:	4.58
IP(EA), eV:	-10.41(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[[5-(2,4-dichlorophenyl)-1,3,4-oxadiazol-2-yl]amino]methylidene]cyclohexa-2,4-dien-1-one

Drug info:

PubChemData

Smile

COC(=O)C(CC1CCC(=O)C(C1O)Cl)NC(=O)OCC=C

DOS

IR

Vibrations