Geometry & MOs

Info

ID:	403421
PubChem CID:	135060196
Reduced:	SN2H14C18 (1)
Stoich.:	AB2C14D18 (1)
Weight, g/mol:	269.095297
ΔH_f, kcal/mol:	93.05
Dipole, Da:	2.36
IP(EA), eV:	-8.5(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-pyrido[2,3-b]indol-9-ylbenzonitrile

Drug info:

PubChemData

Smile

CSC1=CC=C(C=C1)N2C3=CC=CC=C3C4=C2N=CC=C4

DOS

IR

Vibrations