Geometry & MOs

Info

ID:	401336
PubChem CID:	135050985
Reduced:	N2O5H14C16 (1)
Stoich.:	A2B5C14D16 (1)
Weight, g/mol:	303.087099
ΔH_f, kcal/mol:	-73.6
Dipole, Da:	4.03
IP(EA), eV:	-10.31(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,2-trifluoro-N-[1-(4-phenylphenyl)prop-2-ynyl]acetamide

Drug info:

PubChemData

Smile

CN(C(C1=CC=C(C=C1)[N+](=O)[O-])C(=O)O)C(=O)C2=CC=CC=C2

DOS

IR

Vibrations