Geometry & MOs

Info

ID:	424143
PubChem CID:	135121480
Reduced:	NO2F5H12C13 (1)
Stoich.:	AB2C5D12E13 (1)
Weight, g/mol:	267.104799
ΔH_f, kcal/mol:	-300.11
Dipole, Da:	5.52
IP(EA), eV:	-8.67(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-phenylethynyl)-9H-carbazole

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations