Geometry & MOs

Info

ID:	259400
PubChem CID:	103165278
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	276.129634
ΔH_f, kcal/mol:	-12.21
Dipole, Da:	2.27
IP(EA), eV:	-9.21(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[5-(3-aminoprop-1-ynyl)thiophen-3-yl]methyl]-2-cyclobutyl-N-methylacetamide

Drug info:

PubChemData

Smile

CCOC1CC(C1)CC(=O)NC2=CC=CC(=N2)C#CCN

DOS

IR

Vibrations