Geometry & MOs

Info

ID:	177587
PubChem CID:	76201596
Reduced:	ON4C14H18 (1)
Stoich.:	AB4C14D18 (1)
Weight, g/mol:	254.163043
ΔH_f, kcal/mol:	37.2
Dipole, Da:	3.92
IP(EA), eV:	-8.56(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-butylpiperidin-4-yl)amino]-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

CC1C(CNN1)CNC2=CC=CC(=C2)C3=CN=CO3

DOS

IR

Vibrations