Geometry & MOs

Info

ID:

83766

PubChem CID:

49861176

Reduced:

ClN2F3O3C22H26 (1)

Stoich.:

AB2C3D3E22F26 (1)

Weight, g/mol:

456.17914

ΔHf, kcal/mol:

-277.78

Dipole, Da:

7.04

IP(EA), eV:

 -8.99(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CCN1C2=C(C[C@H]([C@H](C1=O)O)C3=CC=C(C=C3)OC)C=C(C=C2)C(F)(F)F.Cl

DOS

IR

Vibrations