Geometry & MOs

Info

ID:	351655
PubChem CID:	127280722
Reduced:	ON5C22H27 (1)
Stoich.:	AB5C22D27 (1)
Weight, g/mol:	351.20591
ΔH_f, kcal/mol:	53.7
Dipole, Da:	8.13
IP(EA), eV:	-8.65(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CC2CC(C1)(CN2CC3=NC(=O)C4=CNN(C4=N3)C5=CC=CC=C5)C)C

DOS

IR

Vibrations