Geometry & MOs

Info

ID:	186841
PubChem CID:	77492269
Reduced:	NO2C9H13 (1)
Stoich.:	AB2C9D13 (1)
Weight, g/mol:	351.110708
ΔH_f, kcal/mol:	-91.46
Dipole, Da:	3.85
IP(EA), eV:	-10.14(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methyl-3-[2,2,2-trifluoro-1-(3-fluorophenyl)ethyl]-1,3,8,10,12-pentazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene

Drug info:

PubChemData

Smile

CCC1C(C(=O)NC1=O)C=CC

DOS

IR

Vibrations