Geometry & MOs

Info

ID:	387250
PubChem CID:	134984567
Reduced:	NOC20H25 (1)
Stoich.:	ABC20D25 (1)
Weight, g/mol:	245.141579
ΔH_f, kcal/mol:	27.16
Dipole, Da:	1.07
IP(EA), eV:	-9.22(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,3aS,5aS,9aR)-3-phenyl-3,3a,4,5a,6,7,8,9-octahydro-1H-[1]benzofuro[3a,3-c][1,2]oxazole

Drug info:

PubChemData

Smile

CCCCC1(CN(C1)OCC2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations