Geometry & MOs

Info

ID:	395176
PubChem CID:	135024854
Reduced:	OC21H38 (1)
Stoich.:	AB21C38 (1)
Weight, g/mol:	423.104148
ΔH_f, kcal/mol:	-97.15
Dipole, Da:	2.63
IP(EA), eV:	-9.01(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(benzenesulfonyl)indol-3-yl]-3H-pyrrolo[2,3-c]quinoline

Drug info:

PubChemData

Smile

CCCCCCC/C=C/C1=C[C@H](OCC1)CCCCCCC

DOS

IR

Vibrations