Geometry & MOs

Info

ID:	311919
PubChem CID:	126599395
Reduced:	N3C14H17 (1)
Stoich.:	A3B14C17 (1)
Weight, g/mol:	195.1987
ΔH_f, kcal/mol:	136.59
Dipole, Da:	1.89
IP(EA), eV:	-8.12(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-pentan-2-yl-2,3,3a,4,5,6,7,7a-octahydroindole

Drug info:

PubChemData

Smile

CC#C/C/1=C(/C(=N/C=C/CC1C)N)\N(C)C#C

DOS

IR

Vibrations