Geometry & MOs

Info

ID:	186069
PubChem CID:	77386142
Reduced:	O2C12H13 (2)
Stoich.:	A2B12C13 (2)
Weight, g/mol:	466.262028
ΔH_f, kcal/mol:	-131.39
Dipole, Da:	5.98
IP(EA), eV:	-8.83(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-diphenylmethyl]-5,6-dihydro-4H-1,3-oxazine

Drug info:

PubChemData

Smile

CCCCCOC1CC(C=C(O1)C(=O)O)C2=CC3=C(C=C2)C4=CC=CC=C4C3

DOS

IR

Vibrations