Geometry & MOs

Info

ID:	133801
PubChem CID:	51590939
Reduced:	N2O2C13H18 (1)
Stoich.:	A2B2C13D18 (1)
Weight, g/mol:	327.182101
ΔH_f, kcal/mol:	-66.42
Dipole, Da:	3.01
IP(EA), eV:	-9.1(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

4-[(1R,9S)-12-(furan-3-ylmethyl)-4,6-diaza-12-azoniatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-5-yl]morpholine

Drug info:

PubChemData

Smile

C1C[C@@H]2CC(C[C@H](C1)N2)NC(=O)C3=COC=C3

DOS

IR

Vibrations