Geometry & MOs

Info

ID:	197970
PubChem CID:	79023978
Reduced:	ClNO2C16H18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	255.119461
ΔH_f, kcal/mol:	-59.46
Dipole, Da:	1.43
IP(EA), eV:	-8.48(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-amino-N-methyl-N-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]butanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)NCC(C2=CC(=CC=C2)OC)O

DOS

IR

Vibrations