Geometry & MOs

Info

ID:	21190
PubChem CID:	587581
Reduced:	OC15H24 (2)
Stoich.:	AB15C24 (2)
Weight, g/mol:	440.365431
ΔH_f, kcal/mol:	-157.43
Dipole, Da:	5.88
IP(EA), eV:	-9.72(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,6a,6b,8a,11,11,14a-heptamethyl-3-oxo-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picene-4a-carbaldehyde

Drug info:

PubChemData

Smile

CC1C(=O)CCC2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C=O

DOS

IR

Vibrations