Geometry & MOs

Info

ID:

312475

PubChem CID:

126605591

Reduced:

SN3H15C18 (1)

Stoich.:

AB3C15D18 (1)

Weight, g/mol:

703.345773

ΔHf, kcal/mol:

129.56

Dipole, Da:

2.89

IP(EA), eV:

 -7.92(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[1-(cyclopropanecarbonyl)piperidin-4-yl]-N-[4-[2-(1,4-dimethylpyrrolidin-2-yl)-3H-benzo[e]benzimidazol-7-yl]-3-(trifluoromethoxy)phenyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=N/N=C\2/C=CS/C2=C\N)C3=CC=CC=C3

DOS

IR

Vibrations