Geometry & MOs

Info

ID:	266769
PubChem CID:	103579346
Reduced:	NOC17H17 (1)
Stoich.:	ABC17D17 (1)
Weight, g/mol:	268.157563
ΔH_f, kcal/mol:	34.78
Dipole, Da:	3.94
IP(EA), eV:	-9.02(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1H-indol-3-yl)-N-pent-1-yn-3-ylbutanamide

Drug info:

PubChemData

Smile

CCC(C#C)NC(=O)CC1=CC=CC2=CC=CC=C21

DOS

IR

Vibrations