Geometry & MOs

Info

ID:	63400
PubChem CID:	26758244
Reduced:	F3O3N6C21H23 (1)
Stoich.:	A3B3C6D21E23 (1)
Weight, g/mol:	396.132136
ΔH_f, kcal/mol:	-140.89
Dipole, Da:	6.14
IP(EA), eV:	-8.95(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[(2-methoxyphenyl)methylamino]-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N2CCN(CC2)C3=NC=CC=N3)C4=C(C=C(C=C4)C(F)(F)F)[N+](=O)[O-]

DOS

IR

Vibrations