Geometry & MOs

Info

ID:	145522
PubChem CID:	53537144
Reduced:	N5O5C23H29 (1)
Stoich.:	A5B5C23D29 (1)
Weight, g/mol:	304.11063
ΔH_f, kcal/mol:	-192.48
Dipole, Da:	9.1
IP(EA), eV:	-9.35(-1.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC(CC1)NC(=O)CCCNC(=O)C2=CC=C(NC2=O)C3=CC=CC=N3

DOS

IR

Vibrations