Geometry & MOs

Info

ID:

424742

PubChem CID:

135123764

Reduced:

F3O3N4C35H35 (1)

Stoich.:

A3B3C4D35E35 (1)

Weight, g/mol:

606.318161

ΔHf, kcal/mol:

-164.88

Dipole, Da:

4.01

IP(EA), eV:

 -8.48(-0.75)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(1-ethyl-4-methylbenzotriazol-5-yl)-3-[3-[[(4S)-4-ethyl-9-(trifluoromethyl)-1,3,4,5-tetrahydro-2-benzazepin-2-yl]methyl]-4-methylphenyl]-2,2-dimethylpropanoic acid

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C3=C(C=C(C=C3OC4CCN(CC4)CC(F)(F)F)C5=CC=NN5C6=CC=CC=C6)C7(C2=O)CCC7

DOS

IR

Vibrations