Geometry & MOs

Info

ID:	344261
PubChem CID:	127267437
Reduced:	N4O4C17H22 (1)
Stoich.:	A4B4C17D22 (1)
Weight, g/mol:	297.147727
ΔH_f, kcal/mol:	-92.93
Dipole, Da:	3.17
IP(EA), eV:	-8.9(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(2-cyclopropyl-4-oxopiperidin-1-yl)-2-oxoethyl]amino]benzonitrile

Drug info:

PubChemData

Smile

CC(C(=O)NC1=CN(N=N1)C2=CC(=CC=C2)OC)OCC3CCCO3

DOS

IR

Vibrations