Geometry & MOs

Info

ID:	63350
PubChem CID:	26758125
Reduced:	OF3N4H17C18 (1)
Stoich.:	AB3C4D17E18 (1)
Weight, g/mol:	397.163771
ΔH_f, kcal/mol:	-118.75
Dipole, Da:	3.78
IP(EA), eV:	-9.06(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-[(1-cyanocyclohexyl)-methylamino]-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=CC=N2)C(=O)/C=C/C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations