Geometry & MOs

Info

ID:	167070
PubChem CID:	74776534
Reduced:	O4N6C19H24 (1)
Stoich.:	A4B6C19D24 (1)
Weight, g/mol:	467.188129
ΔH_f, kcal/mol:	-92.59
Dipole, Da:	3.49
IP(EA), eV:	-8.56(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-difluoro-N-[5-methyl-2-[1-(3-methylphenyl)-4-oxo-3,3a,5,6,7,7a-hexahydro-2H-pyrazolo[3,4-d]pyrimidin-6-yl]pyrazol-3-yl]benzamide

Drug info:

PubChemData

Smile

CN1C2C(C(=O)N(C1=O)C)N(C(=N2)N3CCN(CC3)C4=CC=CC=C4)CC(=O)O

DOS

IR

Vibrations