Geometry & MOs

Info

ID:	274122
PubChem CID:	103807177
Reduced:	FION2C12H16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	241.179027
ΔH_f, kcal/mol:	-67.28
Dipole, Da:	4.25
IP(EA), eV:	-9.16(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-(1-amino-2,4-dimethylpentan-2-yl)-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(CNC(=O)C1=C(C=C(C=C1)F)I)N

DOS

IR

Vibrations