Geometry & MOs

Info

ID:	322192
PubChem CID:	126669184
Reduced:	NO3C33H41 (1)
Stoich.:	AB3C33D41 (1)
Weight, g/mol:	339.07543
ΔH_f, kcal/mol:	-91.96
Dipole, Da:	1.41
IP(EA), eV:	-8.68(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[1-(6-fluoro-1-benzofuran-5-yl)-2-nitroethyl]propanedioate

Drug info:

PubChemData

Smile

CC(C)(C1=CC=C(C=C1)CCCCN2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O)C(=O)OC

DOS

IR

Vibrations