Geometry & MOs

Info

ID:	185691
PubChem CID:	77333256
Reduced:	NO3C21H31 (1)
Stoich.:	AB3C21D31 (1)
Weight, g/mol:	268.203845
ΔH_f, kcal/mol:	-132.15
Dipole, Da:	4.53
IP(EA), eV:	-9.16(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methoxy-5-methylnon-1-en-2-yl)oxan-3-one

Drug info:

PubChemData

Smile

CC12CCCC1C3C(CC2)C4(CC(C(=O)NC4=CC3O)OC5CC5)C

DOS

IR

Vibrations