Geometry & MOs

Info

ID:	311245
PubChem CID:	126590030
Reduced:	N2O2C25H28 (1)
Stoich.:	A2B2C25D28 (1)
Weight, g/mol:	426.119127
ΔH_f, kcal/mol:	-44.69
Dipole, Da:	2.26
IP(EA), eV:	-9.21(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-phenyl-11-[[3-(trifluoromethyl)phenyl]methyl]-4,11-diazatricyclo[5.3.1.02,6]undec-9-ene-3,5,8-trione

Drug info:

PubChemData

Smile

CC1C2C(C(N1CC3=CC=CC(=C3)C)C=C)C(=O)N(C2=O)C4=C(C=CC=C4C)C

DOS

IR

Vibrations