Geometry & MOs

Info

ID:	380585
PubChem CID:	134971072
Reduced:	O5C16H18 (1)
Stoich.:	A5B16C18 (1)
Weight, g/mol:	294.16198
ΔH_f, kcal/mol:	-195.38
Dipole, Da:	6.09
IP(EA), eV:	-8.93(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,10bS)-6-methyl-6-phenyl-1,2,3,4,4a,10b-hexahydrobenzo[c]chromen-9-ol

Drug info:

PubChemData

Smile

C1CC[C@]2([C@@H](C1)C(=O)O)C3=CC4=C(C=C3CCO2)OCO4

DOS

IR

Vibrations