Geometry & MOs

Info

ID:	402031
PubChem CID:	135053934
Reduced:	NO2C8H13 (1)
Stoich.:	AB2C8D13 (1)
Weight, g/mol:	291.147058
ΔH_f, kcal/mol:	-84.15
Dipole, Da:	4.08
IP(EA), eV:	-11.47(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[hydroxy-(4-methoxyphenyl)methyl]-1-morpholin-4-ylbut-3-en-1-one

Drug info:

PubChemData

Smile

CCCC[C@@H](C#N)OC(=O)C

DOS

IR

Vibrations