Geometry & MOs

Info

ID:	159599
PubChem CID:	57288516
Reduced:	FNO2C33H52 (1)
Stoich.:	ABC2D33E52 (1)
Weight, g/mol:	364.297745
ΔH_f, kcal/mol:	-193.97
Dipole, Da:	4.5
IP(EA), eV:	-8.57(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3aS,7aS)-1-[5-(2-hydroxy-2-propylpentoxy)pent-3-en-2-yl]-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-one

Drug info:

PubChemData

Smile

CCCCCCCCCN(C)CCCCCC1CC2=C(C=CC(=C2)O)[C@@H]3[C@@H]1[C@@H]4CCC(=O)[C@]4(CC3F)C

DOS

IR

Vibrations