Geometry & MOs

Info

ID:	381723
PubChem CID:	134972536
Reduced:	O5C14H18 (1)
Stoich.:	A5B14C18 (1)
Weight, g/mol:	277.240565
ΔH_f, kcal/mol:	-197.08
Dipole, Da:	1.56
IP(EA), eV:	-9.54(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,5aR,9aR,11aS)-9a,11a-dimethyl-2,3,3a,3b,4,5,5a,6,7,8,9,9b,10,11-tetradecahydro-1H-indeno[5,4-f]isoquinolin-1-ol

Drug info:

PubChemData

Smile

COC(=O)/C=C\C[C@H]([C@H]([C@@H](C1=CC=CC=C1)O)O)O

DOS

IR

Vibrations