Geometry & MOs

Info

ID:	685
PubChem CID:	3193
Reduced:	O4C21H36 (1)
Stoich.:	A4B21C36 (1)
Weight, g/mol:	352.26136
ΔH_f, kcal/mol:	-209.58
Dipole, Da:	3.92
IP(EA), eV:	-9.41(0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-4-(9-hydroxy-4,6,8,10-tetramethyl-7-oxododec-4-en-2-yl)oxetan-2-one

Drug info:

PubChemData

Smile

CCC1C(OC1=O)C(C)CC(=CC(C)C(=O)C(C)C(C(C)CC)O)C

DOS

IR

Vibrations