Geometry & MOs

Info

ID:

302475

PubChem CID:

124361903

Reduced:

ClFON3H17C27 (1)

Stoich.:

ABCD3E17F27 (1)

Weight, g/mol:

527.218447

ΔHf, kcal/mol:

78.57

Dipole, Da:

4.06

IP(EA), eV:

 -8.4(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3S,10bR)-3-(adamantane-1-carbonyl)-2-[4-(trifluoromethyl)phenyl]-3,10b-dihydro-2H-pyrrolo[2,1-a]isoquinoline-1,1-dicarbonitrile

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=C[C@@H]3N2[C@H]([C@H](C3(C#N)C#N)C4=CC=CC=C4Cl)C(=O)C5=CC=C(C=C5)F

DOS

IR

Vibrations