Geometry & MOs

Info

ID:	43766
PubChem CID:	10321758
Reduced:	O3C30H46 (1)
Stoich.:	A3B30C46 (1)
Weight, g/mol:	454.14925
ΔH_f, kcal/mol:	-188.9
Dipole, Da:	3.99
IP(EA), eV:	-9.05(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CCC3=C2CC[C@@H]4[C@@]3(CCC(=O)C4(C)C)C)C)C(=O)O

DOS

IR

Vibrations