Geometry & MOs

Info

ID:	390764
PubChem CID:	135000817
Reduced:	ClF3O3H8C10 (1)
Stoich.:	AB3C3D8E10 (1)
Weight, g/mol:	295.105587
ΔH_f, kcal/mol:	-207.54
Dipole, Da:	2.93
IP(EA), eV:	-9.75(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[(1R)-1-(2-methylphenyl)-2-nitroethyl]propanedioate

Drug info:

PubChemData

Smile

C1[C@H](OOC1(C(F)(F)F)O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations