Geometry & MOs

Info

ID:	124478
PubChem CID:	50884862
Reduced:	O3N4C17H18 (1)
Stoich.:	A3B4C17D18 (1)
Weight, g/mol:	388.105922
ΔH_f, kcal/mol:	-55.02
Dipole, Da:	13.36
IP(EA), eV:	-9.25(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene]-3-phenyl-1,2-oxazol-5-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N/N=C\2/C(=C(C(=O)N(C2=O)CCO)C#N)C)C

DOS

IR

Vibrations