Geometry & MOs

Info

ID:	351657
PubChem CID:	127280724
Reduced:	ON5C20H25 (1)
Stoich.:	AB5C20D25 (1)
Weight, g/mol:	351.20591
ΔH_f, kcal/mol:	59.56
Dipole, Da:	8.43
IP(EA), eV:	-8.62(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[methyl-(2-methylcyclohexyl)amino]methyl]-1-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CN(CC1=NC(=O)C2=CNN(C2=N1)C3=CC=CC=C3)C4CCCCCC4

DOS

IR

Vibrations