Geometry & MOs

Info

ID:	266723
PubChem CID:	103579211
Reduced:	NOSCl2H9C10 (1)
Stoich.:	ABCD2E9F10 (1)
Weight, g/mol:	226.110613
ΔH_f, kcal/mol:	28.64
Dipole, Da:	3.17
IP(EA), eV:	-9.69(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-pent-1-yn-3-yl-1H-indole-3-carboxamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1=C(SC(=C1)Cl)Cl

DOS

IR

Vibrations