Geometry & MOs

Info

ID:	420864
PubChem CID:	135114941
Reduced:	O3N5C18H23 (1)
Stoich.:	A3B5C18D23 (1)
Weight, g/mol:	287.149458
ΔH_f, kcal/mol:	-66.78
Dipole, Da:	6.56
IP(EA), eV:	-9.89(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-6-[[methyl-[(5-methyl-1H-imidazol-2-yl)methyl]amino]methyl]-2H-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

C1CN(C[C@H]([C@@H]1NC(=O)C2=CC=CC=C2)O)C(=O)CCCN3C=NC=N3

DOS

IR

Vibrations