Geometry & MOs

Info

ID:

232209

PubChem CID:

87575716

Reduced:

FO4N11H56C57 (1)

Stoich.:

AB4C11D56E57 (1)

Weight, g/mol:

474.243104

ΔHf, kcal/mol:

73.4

Dipole, Da:

3.46

IP(EA), eV:

 -8.14(-1.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[2-[(4R,5R)-1-(4-fluorophenyl)-4-methyl-4,5,6,7-tetrahydro-2H-cyclopenta[f]indazol-5-yl]-1-phenylethyl]-1-methoxy-1-methylurea

Drug info:

PubChemData

Smile

CN(C)C1CCN(CC1)C2=CC3=C(C=C2)N=C(N3)C(=O)C4=CC(=NC=C4)C5=CC6=C(C=C5)OCCO6.CN(C)C1CCN(CC1)C2=C(C3=C(C=C2)NC(=N3)C(=O)C4=CC(=NC=C4)C5=CN=CC6=CC=CC=C65)F

DOS

IR

Vibrations