Geometry & MOs

Info

ID:	418506
PubChem CID:	135105371
Reduced:	ON2C21H26 (1)
Stoich.:	AB2C21D26 (1)
Weight, g/mol:	367.175673
ΔH_f, kcal/mol:	-24.25
Dipole, Da:	4.38
IP(EA), eV:	-8.54(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[2-(6-methoxy-1H-benzimidazol-2-yl)ethyl-methylamino]methyl]-1-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC(=CC(=N1)C)N2C[C@H]3CCC[C@@]([C@H]3C2)(C4=CC=CC=C4)O

DOS

IR

Vibrations