Geometry & MOs

Info

ID:

146850

PubChem CID:

53759860

Reduced:

O3C10H12 (4)

Stoich.:

A3B10C12 (4)

Weight, g/mol:

299.199762

ΔHf, kcal/mol:

-331.03

Dipole, Da:

4.16

IP(EA), eV:

 -8.84(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(4R)-4-(dipropylamino)-4,5-dihydro-3H-benzo[cd]indole-1-carboxamide

Drug info:

PubChemData

Smile

CC1=C2[C@@H]3[C@H]([C@@]4([C@H](C[C@@H]5[C@]([C@H]4[C@@H]([C@@](C2(C)C)(C[C@@H]1OC(=O)OCC6=CC=CC=C6)O)OC(=O)C7=CC=CC=C7)(CO5)OC(=O)C)O)C)OC(O3)(C)C

DOS

IR

Vibrations