Geometry & MOs

Info

ID:	413265
PubChem CID:	135086212
Reduced:	O11C37H52 (1)
Stoich.:	A11B37C52 (1)
Weight, g/mol:	259.193614
ΔH_f, kcal/mol:	-410.12
Dipole, Da:	4.47
IP(EA), eV:	-8.9(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,4R,4aR,7S,7aR)-N,4,7-trimethyl-N-phenyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyran-1-amine

Drug info:

PubChemData

Smile

CCOC1C[C@@]23CC4(C(C5C6C[C@@H](O[C@]5(C2(C4C6CCCCC/C=C/C)O1)OC3=O)C7(OCCO7)CC/C=C/C)C(=O)OC)C(=O)OC

DOS

IR

Vibrations