Geometry & MOs

Info

ID:	321992
PubChem CID:	126667687
Reduced:	BrClH10C18 (1)
Stoich.:	ABC10D18 (1)
Weight, g/mol:	343.262363
ΔH_f, kcal/mol:	109.92
Dipole, Da:	1.91
IP(EA), eV:	-8.76(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-indol-3-yl)-N-[8-(methylamino)octyl]butanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C#CC3=C(C=C(C=C3)Cl)Br

DOS

IR

Vibrations