Geometry & MOs

Info

ID:

83767

PubChem CID:

49861177

Reduced:

ClN2O2F3C23H28 (1)

Stoich.:

AB2C2D3E23F28 (1)

Weight, g/mol:

482.19479

ΔHf, kcal/mol:

-245.74

Dipole, Da:

2.37

IP(EA), eV:

 -8.99(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3R,4R)-1-[2-(dimethylamino)ethyl]-4-(4-methoxyphenyl)-3-prop-2-enyl-7-(trifluoromethyl)-4,5-dihydro-3H-1-benzazepin-2-one;hydrochloride

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H](CC2=C(C=CC(=C2)C(F)(F)F)N(C1=O)CCN(C)C)C3=CC=C(C=C3)OC.Cl

DOS

IR

Vibrations