Geometry & MOs

Info

ID:	38870
PubChem CID:	8138088
Reduced:	F3O3N4H11C13 (1)
Stoich.:	A3B3C4D11E13 (1)
Weight, g/mol:	348.168522
ΔH_f, kcal/mol:	-217.19
Dipole, Da:	1.78
IP(EA), eV:	-9.59(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-2-oxoethyl] 2-(3,4-dimethylphenoxy)acetate

Drug info:

PubChemData

Smile

C1=CNC(=C1)C(=O)NNC(=O)CN2C=C(C=CC2=O)C(F)(F)F

DOS

IR

Vibrations