Geometry & MOs

Info

ID:	336397
PubChem CID:	127255404
Reduced:	O2C9H13 (4)
Stoich.:	A2B9C13 (4)
Weight, g/mol:	605.051213
ΔH_f, kcal/mol:	-378.48
Dipole, Da:	2.66
IP(EA), eV:	-9.35(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C@H]1CC[C@@H]([C@H](C1)OC(=O)O[C@@H]2[C@H]3[C@@H]([C@@H]4[C@@H]([C@H]2OCC5=CC=CC=C5)OC6(O4)CCCCC6)OC7(O3)CCCCC7)C(C)C

DOS

IR

Vibrations