Geometry & MOs

Info

ID:	48111
PubChem CID:	10537253
Reduced:	N2C15H18 (1)
Stoich.:	A2B15C18 (1)
Weight, g/mol:	226.19328
ΔH_f, kcal/mol:	60.23
Dipole, Da:	4.19
IP(EA), eV:	-8.99(0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-5-[(1S)-1-methoxyethyl]undec-1-en-4-one

Drug info:

PubChemData

Smile

C=C1CN(CCC1CC#N)CC2=CC=CC=C2

DOS

IR

Vibrations