Geometry & MOs

Info

ID:	60266
PubChem CID:	26676048
Reduced:	N2O3C19H24 (1)
Stoich.:	A2B3C19D24 (1)
Weight, g/mol:	419.148121
ΔH_f, kcal/mol:	-56.55
Dipole, Da:	4.92
IP(EA), eV:	-9.24(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3R,3aS,7E)-3-(furan-2-yl)-7-(furan-2-ylmethylidene)-3a,4,5,6-tetrahydro-3H-indazol-2-yl]-2-(1-oxidopyridin-1-ium-2-yl)oxyethanone

Drug info:

PubChemData

Smile

CC(C)C1=C(C(=CC=C1)C(C)C)NC(=O)COC2=CC=CC=[N+]2[O-]

DOS

IR

Vibrations