Geometry & MOs

Info

ID:	239955
PubChem CID:	93373859
Reduced:	ON3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	261.184112
ΔH_f, kcal/mol:	-30.93
Dipole, Da:	2.92
IP(EA), eV:	-8.59(0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-aminocyclohexyl)-[(2S)-2-(1H-pyrrol-2-yl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1C[C@H](NC1)C(=O)N2CCC[C@H]2C3=CC=CN3

DOS

IR

Vibrations