Geometry & MOs

Info

ID:	4593
PubChem CID:	11690
Reduced:	ClNO3C16H20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	309.113171
ΔH_f, kcal/mol:	-101.27
Dipole, Da:	6.63
IP(EA), eV:	-8.78(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,16R)-16-methoxy-5-oxa-10-azoniatetracyclo[8.7.0.01,13.02,7]heptadeca-2(7),12,14-trien-4-one;chloride

Drug info:

PubChemData

Smile

CO[C@@H]1C[C@]23C4=C(CC[NH+]2CC=C3C=C1)COC(=O)C4.[Cl-]

DOS

IR

Vibrations