Geometry & MOs

Info

ID:	380767
PubChem CID:	134971318
Reduced:	O2C19H32 (1)
Stoich.:	A2B19C32 (1)
Weight, g/mol:	262.229666
ΔH_f, kcal/mol:	-127.33
Dipole, Da:	1.45
IP(EA), eV:	-9.35(1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6aS,10aS,10bR)-3,4a,7,7,10a-pentamethyl-1,5,6,6a,8,9,10,10b-octahydrobenzo[f]chromene

Drug info:

PubChemData

Smile

C[C@]12CCCC([C@@H]1CCC(=C)[C@@H]2CC3(OCCO3)C)(C)C

DOS

IR

Vibrations