Geometry & MOs

Info

ID:	393802
PubChem CID:	135021717
Reduced:	O5C21H38 (1)
Stoich.:	A5B21C38 (1)
Weight, g/mol:	460.163436
ΔH_f, kcal/mol:	-281.32
Dipole, Da:	2.06
IP(EA), eV:	-10.23(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/[C@H]1[C@@H](OC(O1)(C)C)CCCCCCCCC[C@@H](C)O

DOS

IR

Vibrations