Geometry & MOs

Info

ID:	290081
PubChem CID:	104407243
Reduced:	ON2C18H28 (1)
Stoich.:	AB2C18D28 (1)
Weight, g/mol:	251.163377
ΔH_f, kcal/mol:	-44.21
Dipole, Da:	3.26
IP(EA), eV:	-8.35(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyano-2-methyl-N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)butanamide

Drug info:

PubChemData

Smile

CC1CC2=C(O1)C=CC(=C2)CNC(C)CN3CCCCC3

DOS

IR

Vibrations