Geometry & MOs

Info

ID:	150684
PubChem CID:	53790378
Reduced:	N3O3C16H19 (1)
Stoich.:	A3B3C16D19 (1)
Weight, g/mol:	351.168188
ΔH_f, kcal/mol:	-52.38
Dipole, Da:	4.78
IP(EA), eV:	-9.21(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propyl 2-[3-[3-(4-nitrophenyl)propoxy]propyl]oxirane-2-carboxylate

Drug info:

PubChemData

Smile

C1CNCCC1CCC2=NC(=NO2)C3=CC(=CC=C3)C(=O)O

DOS

IR

Vibrations