Geometry & MOs

Info

ID:	149814
PubChem CID:	53789491
Reduced:	NPO5C26H54 (1)
Stoich.:	ABC5D26E54 (1)
Weight, g/mol:	303.071842
ΔH_f, kcal/mol:	-351.67
Dipole, Da:	0.83
IP(EA), eV:	-8.85(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 2-[4-(trifluoromethyl)phenyl]iminobutanedioate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(C)CCC(COP(O)OCCN(C)C)OC=O

DOS

IR

Vibrations