Geometry & MOs

Info

ID:	202174
PubChem CID:	79638365
Reduced:	O3C14H14 (1)
Stoich.:	A3B14C14 (1)
Weight, g/mol:	277.251798
ΔH_f, kcal/mol:	-99.73
Dipole, Da:	5.8
IP(EA), eV:	-9.27(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[cyclohexyl(ethyl)amino]-1-(propylamino)cyclopentane-1-carbonitrile

Drug info:

PubChemData

Smile

C1CC(=O)CC1C(=O)C2=CC3=C(C=C2)OCC3

DOS

IR

Vibrations