Geometry & MOs

Info

ID:	432511
PubChem CID:	135172644
Reduced:	O3C16H25 (2)
Stoich.:	A3B16C25 (2)
Weight, g/mol:	196.157563
ΔH_f, kcal/mol:	-313.97
Dipole, Da:	4.69
IP(EA), eV:	-8.98(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[ethyl(methyl)amino]piperidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CCCCCC1=CC=C(C=C1)C2CC(CC(C2)CCCOC(=O)C(C)(C)CO)CCCOC(=O)C(=C)CO

DOS

IR

Vibrations