Geometry & MOs

Info

ID:	202077
PubChem CID:	79625668
Reduced:	N3C17H31 (1)
Stoich.:	A3B17C31 (1)
Weight, g/mol:	275.236148
ΔH_f, kcal/mol:	-9.27
Dipole, Da:	2.84
IP(EA), eV:	-8.42(1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-1-(ethylamino)cyclohexane-1-carbonitrile

Drug info:

PubChemData

Smile

CCCC1CCCN(CC1)C2CCCC(C2)(C#N)NC

DOS

IR

Vibrations