Geometry & MOs

Info

ID:	369950
PubChem CID:	127336899
Reduced:	O2N5C17H19 (1)
Stoich.:	A2B5C17D19 (1)
Weight, g/mol:	234.173213
ΔH_f, kcal/mol:	4.42
Dipole, Da:	3.85
IP(EA), eV:	-8.67(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(2-cyclohexylpyrrolidin-1-yl)-2-methyl-3-oxopropanenitrile

Drug info:

PubChemData

Smile

C1CC(C1)(C#N)C(=O)NC2=CC3=C(C=C2)N=C(N3)N4CCOCC4

DOS

IR

Vibrations