Geometry & MOs

Info

ID:

165338

PubChem CID:

74534807

Reduced:

O2N7C28H29 (1)

Stoich.:

A2B7C28D29 (1)

Weight, g/mol:

505.243753

ΔHf, kcal/mol:

40.36

Dipole, Da:

8.57

IP(EA), eV:

 -8.73(-1.22)

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]-2,3-dimethoxybenzamide

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)N2C3C(CN2)C(=O)NC(N3)N4C(=CC(=N4)C)NC(=O)C5=CC6=CC=CC=C6C=C5)C

DOS

IR

Vibrations