Geometry & MOs

Info

ID:	434851
PubChem CID:	135175824
Reduced:	NOC9H15 (2)
Stoich.:	ABC9D15 (2)
Weight, g/mol:	296.209993
ΔH_f, kcal/mol:	-75.28
Dipole, Da:	3.36
IP(EA), eV:	-9.1(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-6-[[2-[4-(hydroxymethyl)piperidin-1-yl]-2-oxoethyl]-methylamino]-2-methylhex-4-en-3-one

Drug info:

PubChemData

Smile

CC(C)C(=O)C1=CC(CNC1)CC(C)C(=O)/C=C/CN(C)C

DOS

IR

Vibrations