Geometry & MOs

Info

ID:	322190
PubChem CID:	126669178
Reduced:	NOC29H35 (1)
Stoich.:	ABC29D35 (1)
Weight, g/mol:	329.09108
ΔH_f, kcal/mol:	0.11
Dipole, Da:	2.52
IP(EA), eV:	-8.68(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[1-(3-fluoro-4-methoxyphenyl)-2-nitroethyl]propanedioate

Drug info:

PubChemData

Smile

CC(CCCN1CCC(CC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O)C4=CC=CC=C4

DOS

IR

Vibrations