Geometry & MOs

Info

ID:	161953
PubChem CID:	57393160
Reduced:	BrSO2N4H17C18 (1)
Stoich.:	ABC2D4E17F18 (1)
Weight, g/mol:	283.110947
ΔH_f, kcal/mol:	4.43
Dipole, Da:	10.17
IP(EA), eV:	-8.98(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methylindol-3-yl)quinoline-3-carbonitrile

Drug info:

PubChemData

Smile

CCCCN1C=C(C2=CC=CC=C21)C3=NS(=O)(=O)C4=C(N3)N=CC(=C4)Br

DOS

IR

Vibrations