Geometry & MOs

Info

ID:

191236

PubChem CID:

78122008

Reduced:

ON5C24H27 (1)

Stoich.:

AB5C24D27 (1)

Weight, g/mol:

553.164745

ΔHf, kcal/mol:

65.8

Dipole, Da:

4.67

IP(EA), eV:

 -8.77(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[4-(4-chloro-2-methylphenyl)-5-(5-chloro-2-methylphenyl)-6-oxo-3-propan-2-yl-4H-pyrrolo[3,4-c]pyrazol-2-yl]-1,3-dimethyl-1,3-diazinane-2,4-dione

Drug info:

PubChemData

Smile

C1CN(CCC2C1CNN2)C(=O)CN3C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations