Geometry & MOs

Info

ID:	144480
PubChem CID:	53375896
Reduced:	NO6C23H25 (1)
Stoich.:	AB6C23D25 (1)
Weight, g/mol:	304.276616
ΔH_f, kcal/mol:	-155.61
Dipole, Da:	9.01
IP(EA), eV:	-8.89(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[(1R,3aR,7aR)-7a-methyl-1-[(2R)-6-methylheptan-2-yl]-1,2,3,3a,6,7-hexahydroinden-4-yl]prop-2-en-1-ol

Drug info:

PubChemData

Smile

C[C@H]1CC[C@@H]2[C@H]([C@]3([C@]1(C=CC3=O)O)C)OC(=O)C24CC(=NO4)C5=CC=C(C=C5)OC

DOS

IR

Vibrations