Geometry & MOs

Info

ID:	282531
PubChem CID:	103929654
Reduced:	ClF2N2O2C13H17 (1)
Stoich.:	AB2C2D2E13F17 (1)
Weight, g/mol:	243.231063
ΔH_f, kcal/mol:	-199.9
Dipole, Da:	3.56
IP(EA), eV:	-9.19(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-amino-N-[1-(diethylamino)propan-2-yl]-3,3-dimethylbutanamide

Drug info:

PubChemData

Smile

CC(C)(C)[C@H](C(=O)NC1=CC(=C(C=C1)OC(F)F)Cl)N

DOS

IR

Vibrations