Geometry & MOs

Info

ID:	380852
PubChem CID:	134971426
Reduced:	O2C9H13 (2)
Stoich.:	A2B9C13 (2)
Weight, g/mol:	394.92776
ΔH_f, kcal/mol:	-195.62
Dipole, Da:	2.14
IP(EA), eV:	-9.59(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C@@H]1[C@H](OC(O1)(C)CC(C)CC(=O)OCC2=CC=CC=C2)C

DOS

IR

Vibrations