Geometry & MOs

Info

ID:	145346
PubChem CID:	53504998
Reduced:	N3O4C18H25 (1)
Stoich.:	A3B4C18D25 (1)
Weight, g/mol:	261.15896
ΔH_f, kcal/mol:	-136.05
Dipole, Da:	6.06
IP(EA), eV:	-8.31(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(azepan-1-ylmethyl)-1-methyl-2H-pyrazolo[3,4-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=CC=C(N1C)CNC(=O)NCC(C2=C(C=CC(=C2)OC)OC)O

DOS

IR

Vibrations