Geometry & MOs

Info

ID:	396473
PubChem CID:	135028519
Reduced:	NOC19H25 (1)
Stoich.:	ABC19D25 (1)
Weight, g/mol:	442.234196
ΔH_f, kcal/mol:	17.84
Dipole, Da:	3.91
IP(EA), eV:	-8.74(0.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(Z)-2-ethoxy-2-hydroxy-1-[(4S,6R,8S,9R,11R)-11-hydroxy-6-methyl-3-phenylmethoxycarbonyl-3-azatricyclo[6.2.2.04,9]dodecan-11-yl]ethenediazonium

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H]2CC(=O)C3C[C@H]2[C@H](C1)N(C3)CC4=CC=CC=C4

DOS

IR

Vibrations