Geometry & MOs

Info

ID:	141370
PubChem CID:	52869400
Reduced:	OF3N3C18H20 (1)
Stoich.:	AB3C3D18E20 (1)
Weight, g/mol:	273.134049
ΔH_f, kcal/mol:	-165.17
Dipole, Da:	7.11
IP(EA), eV:	-10.0(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1S)-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]acetamide

Drug info:

PubChemData

Smile

CC1=CN=C(C=N1)C(=O)N[C@H](CC(C)C)C2=CC(=CC=C2)C(F)(F)F

DOS

IR

Vibrations