Geometry & MOs

Info

ID:	159216
PubChem CID:	57264429
Reduced:	NO5C21H27 (1)
Stoich.:	AB5C21D27 (1)
Weight, g/mol:	231.173548
ΔH_f, kcal/mol:	-171.3
Dipole, Da:	4.75
IP(EA), eV:	-9.49(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-indol-7-yl)-N',N'-dimethylbutane-1,4-diamine

Drug info:

PubChemData

Smile

CCOC(=O)C#C[C@@]1(CCCN([C@H]1C2=CC=CC=C2)C(=O)OC(C)(C)C)O

DOS

IR

Vibrations