Geometry & MOs

Info

ID:	326360
PubChem CID:	126687390
Reduced:	NO4C12H21 (1)
Stoich.:	AB4C12D21 (1)
Weight, g/mol:	365.235479
ΔH_f, kcal/mol:	-219.44
Dipole, Da:	4.4
IP(EA), eV:	-10.5(0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aR,6aS)-2-[2-[4-(2-hydroxypropan-2-yl)phenyl]ethyl]-5-phenyl-1,3,3a,4,6,6a-hexahydrocyclopenta[c]pyrrol-5-ol

Drug info:

PubChemData

Smile

CC1CC[C@H](C(C1)OC(=O)N)C(C)OC(=O)C

DOS

IR

Vibrations