Geometry & MOs

Info

ID:	48630
PubChem CID:	11110160
Reduced:	BrN2O2C14H17 (1)
Stoich.:	AB2C2D14E17 (1)
Weight, g/mol:	325.131408
ΔH_f, kcal/mol:	-61.77
Dipole, Da:	6.57
IP(EA), eV:	-8.91(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,5S,6S)-2-benzyl-6-(furan-2-yl)-8-oxa-2-azabicyclo[3.2.1]oct-3-ene-4-carboxylate

Drug info:

PubChemData

Smile

C1CCN(C1)CC2CN(C(=O)O2)C3=CC=C(C=C3)Br

DOS

IR

Vibrations