Geometry & MOs

Info

ID:

310183

PubChem CID:

126576297

Reduced:

ClN6C27H31 (1)

Stoich.:

AB6C27D31 (1)

Weight, g/mol:

400.199822

ΔHf, kcal/mol:

88.87

Dipole, Da:

3.82

IP(EA), eV:

 -8.27(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(4aS)-3-(cyclopropylmethyl)-4a-hydroxy-7-oxo-2,4,5,6,7a,11a,12a,13-octahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-9-yl] N-methylcarbamate

Drug info:

PubChemData

Smile

C/C=C(\C1=C(C=C(C=C1)Cl)N=C)/NC2=CC=C(C=C2)CNC3=NC(=NC(=C3)C)N4CCCCC4

DOS

IR

Vibrations