Geometry & MOs

Info

ID:	25814
PubChem CID:	631051
Reduced:	NO5C23H29 (1)
Stoich.:	AB5C23D29 (1)
Weight, g/mol:	356.063584
ΔH_f, kcal/mol:	-194.8
Dipole, Da:	9.2
IP(EA), eV:	-9.78(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3,6-bis(trifluoromethyl)phenanthren-9-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NC2(C(O1)CC3C2(CC(C4C3CCC5=CC(=O)C=CC45C)O)C)C(=O)CO

DOS

IR

Vibrations