Geometry & MOs

Info

ID:	258620
PubChem CID:	103155665
Reduced:	FNOC6H8 (2)
Stoich.:	ABCD6E8 (2)
Weight, g/mol:	254.124212
ΔH_f, kcal/mol:	-162.95
Dipole, Da:	3.94
IP(EA), eV:	-9.62(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-cyclopropyl-3-methoxy-N-(2,2,2-trifluoroethyl)butanamide

Drug info:

PubChemData

Smile

COC(CC(=O)NCC1=CC(=C(C=C1)F)F)CN

DOS

IR

Vibrations