Geometry & MOs

Info

ID:	406053
PubChem CID:	135076377
Reduced:	WO6C27H28 (1)
Stoich.:	AB6C27D28 (1)
Weight, g/mol:	240.162649
ΔH_f, kcal/mol:	52.89
Dipole, Da:	4.78
IP(EA), eV:	-7.25(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-indol-3-ylmethyl)hept-5-yn-1-amine

Drug info:

PubChemData

Smile

C[C@@H]1CC[C@H]([C@@H](C1)OC(=[W])C#CC2CC2)C(C)(C)C3=CC=CC=C3.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+]

DOS

IR

Vibrations