Geometry & MOs

Info

ID:	366491
PubChem CID:	127319988
Reduced:	O2N7C20H29 (1)
Stoich.:	A2B7C20D29 (1)
Weight, g/mol:	368.207307
ΔH_f, kcal/mol:	-35.27
Dipole, Da:	2.78
IP(EA), eV:	-9.04(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(1,6-dimethylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]-3-(4-methylpyrazol-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CCC(=O)N1CCCC(C1)C(=O)N2CCN(CC2)C3=NC(=NC4=C3C=NN4C)C

DOS

IR

Vibrations