Geometry & MOs

Info

ID:

327881

PubChem CID:

126691215

Reduced:

SN2H36C52 (1)

Stoich.:

AB2C36D52 (1)

Weight, g/mol:

425.18273

ΔHf, kcal/mol:

247.24

Dipole, Da:

0.82

IP(EA), eV:

 -7.86(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[2-[1-[(Z)-but-2-en-2-yl]-5-(3,3,3-trifluoroprop-1-en-2-yl)pyrazol-3-yl]ethyl]-3-methylimidazo[4,5-f]quinoline

Drug info:

PubChemData

Smile

C=CC1=C(SC2=C1C=CC=C2C3=CC=C(C=C3)N(C4=CC=C(C=C4)C5=CC6=C(C=C5)N(C7=CC=CC=C76)C8=CC=CC=C8)C9=CC=CC1=CC=CC=C19)C=C

DOS

IR

Vibrations