Geometry & MOs

Info

ID:	169107
PubChem CID:	75065495
Reduced:	ClFO2N9C18H19 (1)
Stoich.:	ABC2D9E18F19 (1)
Weight, g/mol:	365.126323
ΔH_f, kcal/mol:	87.27
Dipole, Da:	5.93
IP(EA), eV:	-9.38(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,6-dimethylphenyl)-5-(furan-2-yl)-1-(5-nitrofuran-2-yl)pent-1-en-3-one

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2=C(N(N=N2)C3=NON=C3N)C(=O)NN=CC4=C(C=CC=C4Cl)F

DOS

IR

Vibrations