Geometry & MOs

Info

ID:	322085
PubChem CID:	126668535
Reduced:	N2C7H12 (1)
Stoich.:	A2B7C12 (1)
Weight, g/mol:	586.242749
ΔH_f, kcal/mol:	74.85
Dipole, Da:	1.78
IP(EA), eV:	-8.08(0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(4R,4aS,7aR,12bS)-3-(cyclopropylmethyl)-9-hydroperoxy-7-oxo-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-4a-yl] N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCC1=CC=CNNC1

DOS

IR

Vibrations