Geometry & MOs

Info

ID:

307748

PubChem CID:

125308819

Reduced:

NO4C15H17 (2)

Stoich.:

AB4C15D17 (2)

Weight, g/mol:

473.114234

ΔHf, kcal/mol:

-225.13

Dipole, Da:

4.51

IP(EA), eV:

 -8.26(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (1R,2S,3R,10bS)-3-[(4-chlorophenyl)carbamoyl]-1-cyano-2-(furan-2-yl)-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1-carboxylate

Drug info:

PubChemData

Smile

COC[C@@H]1CC(=O)C(=C(O1)[C@H](CC(=O)N2CCC3=C4C=CC=CC4=N[C@H]3C2)C5=CC(=C(C=C5OC)OC)OC)O

DOS

IR

Vibrations