Geometry & MOs

Info

ID:	359022
PubChem CID:	127297266
Reduced:	SN2O2C13H14 (1)
Stoich.:	AB2C2D13E14 (1)
Weight, g/mol:	304.189926
ΔH_f, kcal/mol:	-14.67
Dipole, Da:	4.16
IP(EA), eV:	-9.6(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[cyano(cyclopropyl)methyl]-1-(pyrrolidine-1-carbonyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CC1C(C#N)NC(=O)C2=CC3=C(S2)CCOC3

DOS

IR

Vibrations