Geometry & MOs

Info

ID:

327902

PubChem CID:

126691277

Reduced:

NS2H31C46 (1)

Stoich.:

AB2C31D46 (1)

Weight, g/mol:

401.176422

ΔHf, kcal/mol:

207.93

Dipole, Da:

2.24

IP(EA), eV:

 -8.0(-0.66)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[(4-cyclopropyltriazol-1-yl)methyl]-1-(3-fluorocyclopentyl)imidazo[4,5-c]quinoline-8-carbonitrile

Drug info:

PubChemData

Smile

C=C1C(=C)SC2=C1C=CC=C2C3=CC=C(C=C3)N(C4=CC=C(C=C4)C5=CC=CC=C5)C6=CC=C(C=C6)C7=CC8=C(C=C7)SC9=CC=CC=C98

DOS

IR

Vibrations