Geometry & MOs

Info

ID:	48526
PubChem CID:	11078000
Reduced:	NO2H19C22 (1)
Stoich.:	AB2C19D22 (1)
Weight, g/mol:	330.097998
ΔH_f, kcal/mol:	-9.94
Dipole, Da:	2.93
IP(EA), eV:	-9.5(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(trifluoromethyl)phenyl]-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4,6,8(13)-tetraen-9-one

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)N2C(=O)C3=CC=CC=C3C2(C4=CC=CC=C4)O

DOS

IR

Vibrations