Geometry & MOs

Info

ID:	24293
PubChem CID:	609116
Reduced:	O3C31H48 (1)
Stoich.:	A3B31C48 (1)
Weight, g/mol:	468.360345
ΔH_f, kcal/mol:	-196.93
Dipole, Da:	3.19
IP(EA), eV:	-9.16(0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCC2(CCC3(C(=CCC4C3(CCC5C4(CCC(=O)C5(C)C)C)C)C2C1)C)C(=O)OC)C

DOS

IR

Vibrations