Geometry & MOs

Info

ID:	351656
PubChem CID:	127280723
Reduced:	ON5C20H25 (1)
Stoich.:	AB5C20D25 (1)
Weight, g/mol:	351.20591
ΔH_f, kcal/mol:	56.79
Dipole, Da:	8.73
IP(EA), eV:	-8.43(-1.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(CC1)N(C)CC2=NC(=O)C3=CNN(C3=N2)C4=CC=CC=C4

DOS

IR

Vibrations