Geometry & MOs

Info

ID:	266691
PubChem CID:	103579105
Reduced:	BrClNOH11C12 (1)
Stoich.:	ABCDE11F12 (1)
Weight, g/mol:	226.110613
ΔH_f, kcal/mol:	4.7
Dipole, Da:	3.66
IP(EA), eV:	-9.81(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-pent-1-yn-3-yl-1H-indole-4-carboxamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)C1=C(C=CC(=C1)Cl)Br

DOS

IR

Vibrations