Geometry & MOs

Info

ID:	395324
PubChem CID:	135025198
Reduced:	O2C21H22 (1)
Stoich.:	A2B21C22 (1)
Weight, g/mol:	460.316143
ΔH_f, kcal/mol:	-6.97
Dipole, Da:	1.67
IP(EA), eV:	-9.29(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4aR,6aR,14aR,14bR)-6a,14b-dimethyl-4-methylidene-2,3,4a,5,6,13,14,14a-octahydro-1H-picen-3-yl]oxy-tert-butyl-dimethylsilane

Drug info:

PubChemData

Smile

CCOC(=O)C(CC#C)(CC1=CC=CC=C1)CC2=CC=CC=C2

DOS

IR

Vibrations