Geometry & MOs

Info

ID:

309140

PubChem CID:

126538424

Reduced:

NH33C46 (1)

Stoich.:

AB33C46 (1)

Weight, g/mol:

369.157623

ΔHf, kcal/mol:

181.21

Dipole, Da:

1.54

IP(EA), eV:

 -8.02(-0.47)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4S,4aR,7aS)-3-(cyclopropanecarbonyl)-4a-hydroxy-9-methoxy-2,4,5,6,7a,13-hexahydro-1H-4,12-methanobenzofuro[3,2-e]isoquinolin-7-one

Drug info:

PubChemData

Smile

CC1(C2=C(C3=CC=CC=C31)C(=CC=C2)N(C4=CC=CC=C4)C5=CC=CC6=C5C7=CC=CC=C7C68C9=CC=CC=C9C1=CC=CC=C81)C

DOS

IR

Vibrations