Geometry & MOs

Info

ID:	366488
PubChem CID:	127319985
Reduced:	N3O4C21H29 (1)
Stoich.:	A3B4C21D29 (1)
Weight, g/mol:	344.196074
ΔH_f, kcal/mol:	-150.21
Dipole, Da:	4.97
IP(EA), eV:	-8.54(-0.1)
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]-(oxan-4-yl)methanone

Drug info:

PubChemData

Smile

C1COCC1C(=O)NCC2=CC=CC=C2N3CCN(CC3)C(=O)C4CCOC4

DOS

IR

Vibrations