Geometry & MOs

Info

ID:

224052

PubChem CID:

85337568

Reduced:

O2N5C32H33 (1)

Stoich.:

A2B5C32D33 (1)

Weight, g/mol:

526.280472

ΔHf, kcal/mol:

10.0

Dipole, Da:

3.53

IP(EA), eV:

 -8.74(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[3-[4-(4-methyl-1,4-diazepan-1-yl)phenyl]-4-oxo-2,3,3a,8b-tetrahydro-1H-indeno[1,2-c]pyrazol-5-yl]-3-[methyl(pyridin-2-yl)amino]urea

Drug info:

PubChemData

Smile

CC(CC1=CNC2=CC=CC=C21)(C(=O)NCC3(CCCCC3)C4=CC=CC=N4)NC(=O)C5=CC=CC(=C5)C#N

DOS

IR

Vibrations