Geometry & MOs

Info

ID:	392192
PubChem CID:	135013591
Reduced:	NF3O4C15H18 (1)
Stoich.:	AB3C4D15E18 (1)
Weight, g/mol:	250.004828
ΔH_f, kcal/mol:	-240.01
Dipole, Da:	2.02
IP(EA), eV:	-10.22(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-nitro-5-(2-nitrophenyl)thiophene

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N(CC#C)C(CC#C)(C(=O)OC)C(F)(F)F

DOS

IR

Vibrations