Geometry & MOs

Info

ID:	201436
PubChem CID:	79540985
Reduced:	NO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	257.116427
ΔH_f, kcal/mol:	-112.63
Dipole, Da:	4.67
IP(EA), eV:	-9.3(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[2-(2-oxopropyl)pyrrolidine-1-carbonyl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC=C(O1)C(=O)N2CCCC2CC(=O)C

DOS

IR

Vibrations