Geometry & MOs

Info

ID:	43343
PubChem CID:	10321156
Reduced:	O3C29H46 (1)
Stoich.:	A3B29C46 (1)
Weight, g/mol:	442.257078
ΔH_f, kcal/mol:	-201.85
Dipole, Da:	5.44
IP(EA), eV:	-9.81(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2[C@H](CC4=CC(=O)CC[C@]34C)OC(=O)C)C

DOS

IR

Vibrations