Geometry & MOs

Info

ID:	364295
PubChem CID:	127315394
Reduced:	N3O4C19H33 (1)
Stoich.:	A3B4C19D33 (1)
Weight, g/mol:	372.227374
ΔH_f, kcal/mol:	-190.28
Dipole, Da:	1.9
IP(EA), eV:	-9.08(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylcyclohexyl)oxy-1-[4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1CCCCC1OCC(=O)N2CCN(CC2)C(=O)CN3CCOCC3

DOS

IR

Vibrations