Geometry & MOs

Info

ID:

43480

PubChem CID:

10321364

Reduced:

N2O2C12H19 (2)

Stoich.:

A2B2C12D19 (2)

Weight, g/mol:

446.293328

ΔHf, kcal/mol:

-181.68

Dipole, Da:

4.92

IP(EA), eV:

 -9.04(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1S,3aS,3bS,5aR,9aR,9bS,11aS)-9a,11a-dimethyl-1-(2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)-1,2,3,3a,3b,4,5,5a,6,9b,10,11-dodecahydroindeno[5,4-f]quinolin-7-one

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC2=CC=C(C=C2)CN3CCCC(C3)C(=O)NCCO)C(=O)NCCO

DOS

IR

Vibrations