Geometry & MOs

Info

ID:	21867
PubChem CID:	592899
Reduced:	O2C31H50 (1)
Stoich.:	A2B31C50 (1)
Weight, g/mol:	454.381081
ΔH_f, kcal/mol:	-159.43
Dipole, Da:	3.93
IP(EA), eV:	-9.33(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methoxy-4,4a,6a,6b,8a,11,11,14a-octamethyl-5,6,6a,7,8,9,10,12,12a,13,14,14b-dodecahydro-4H-picen-1-one

Drug info:

PubChemData

Smile

CC1C(=CC(=O)C2C1(CCC3C2(CCC4(C3(CCC5(C4CC(CC5)(C)C)C)C)C)C)C)OC

DOS

IR

Vibrations