Geometry & MOs

Info

ID:	366489
PubChem CID:	127319986
Reduced:	O2N6C17H24 (1)
Stoich.:	A2B6C17D24 (1)
Weight, g/mol:	390.180424
ΔH_f, kcal/mol:	-25.24
Dipole, Da:	3.61
IP(EA), eV:	-8.93(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-(3-methyl-1-benzofuran-2-yl)methanone

Drug info:

PubChemData

Smile

CC1=NC2=C(C=NN2C)C(=N1)N3CCN(CC3)C(=O)C4CCOCC4

DOS

IR

Vibrations