Geometry & MOs

Info

ID:	48134
PubChem CID:	10537357
Reduced:	NO4H7C12 (1)
Stoich.:	AB4C7D12 (1)
Weight, g/mol:	229.107834
ΔH_f, kcal/mol:	17.34
Dipole, Da:	8.35
IP(EA), eV:	-8.09(-2.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-phenyl-N-[(2R)-1,1,1-trifluorobutan-2-yl]ethanimine

Drug info:

PubChemData

Smile

C[O+]=C1C2=C(C=CC(=O)O2)C(=[N-])C3=C1OC=C3

DOS

IR

Vibrations