Geometry & MOs

Info

ID:	358802
PubChem CID:	127296670
Reduced:	ON4C18H24 (1)
Stoich.:	AB4C18D24 (1)
Weight, g/mol:	255.137162
ΔH_f, kcal/mol:	5.89
Dipole, Da:	3.68
IP(EA), eV:	-9.26(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(C)N1C2=NC(=CC(=C2C=N1)C(=O)N3CCC(=C)CC3)C

DOS

IR

Vibrations