Geometry & MOs

Info

ID:	413771
PubChem CID:	135086721
Reduced:	NO3H19C22 (1)
Stoich.:	AB3C19D22 (1)
Weight, g/mol:	382.090467
ΔH_f, kcal/mol:	-16.46
Dipole, Da:	5.35
IP(EA), eV:	-8.66(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(trifluoromethyl)-1-[4-(trifluoromethyl)phenyl]-4,9-dihydro-3H-pyrido[3,4-b]indole

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C2=CC=CC=C2C(=C1C=O)C#CC3=CC=CC=C3

DOS

IR

Vibrations