Geometry & MOs

Info

ID:

165340

PubChem CID:

74534809

Reduced:

ClO2N7C24H26 (1)

Stoich.:

AB2C7D24E26 (1)

Weight, g/mol:

463.213201

ΔHf, kcal/mol:

15.42

Dipole, Da:

8.28

IP(EA), eV:

 -8.71(-1.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[1-(2,3-dimethylphenyl)-4-oxo-3,3a,5,6,7,7a-hexahydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]-5-methylpyrazol-3-yl]-2-fluorobenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2C3C(CN2)C(=O)NC(N3)N4C(=CC(=N4)C)NC(=O)C5=CC=CC=C5Cl)C

DOS

IR

Vibrations