Geometry & MOs

Info

ID:	322255
PubChem CID:	126669544
Reduced:	F3N3O4H20C23 (1)
Stoich.:	A3B3C4D20E23 (1)
Weight, g/mol:	325.116152
ΔH_f, kcal/mol:	-249.76
Dipole, Da:	6.33
IP(EA), eV:	-9.03(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[1-(4-methoxy-2-methylphenyl)-2-nitroethyl]propanedioate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(F)(F)F)NC(=O)NCC2=CC=CC=C2OC3=CC=C(C=C3)C(=O)N

DOS

IR

Vibrations