Geometry & MOs

Info

ID:	403448
PubChem CID:	135060328
Reduced:	NO2H9C10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	326.103083
ΔH_f, kcal/mol:	-1.99
Dipole, Da:	3.99
IP(EA), eV:	-9.01(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[4-(trifluoromethyl)phenyl]-9H-pyrido[2,3-b]indole

Drug info:

PubChemData

Smile

CC(=O)/C(=C/C1=CC(=CC=C1)OC)/CC(C#N)C2=CC=CC=C2[N+](=O)[O-]

DOS

IR

Vibrations