Geometry & MOs

Info

ID:	280049
PubChem CID:	103846552
Reduced:	NSC13H21 (1)
Stoich.:	ABC13D21 (1)
Weight, g/mol:	206.141913
ΔH_f, kcal/mol:	-16.19
Dipole, Da:	2.27
IP(EA), eV:	-8.7(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(8-azabicyclo[3.2.1]octan-3-yl)pent-4-ynamide

Drug info:

PubChemData

Smile

CCC(C1=CC=C(C=C1)SC(C)(C)C)N

DOS

IR

Vibrations