Geometry & MOs

Info

ID:	435052
PubChem CID:	135178894
Reduced:	FN2O3C16H29 (1)
Stoich.:	AB2C3D16E29 (1)
Weight, g/mol:	314.055464
ΔH_f, kcal/mol:	-243.77
Dipole, Da:	4.11
IP(EA), eV:	-9.69(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-(trifluoromethyl)benzo[b]xanthen-12-one

Drug info:

PubChemData

Smile

CC(C)(C)CCNC(=O)[C@@H]1C[C@H](CN1C(=O)OC(C)(C)C)F

DOS

IR

Vibrations