Geometry & MOs

Info

ID:	347076
PubChem CID:	127271580
Reduced:	N2O2C9H16 (2)
Stoich.:	A2B2C9D16 (2)
Weight, g/mol:	373.222623
ΔH_f, kcal/mol:	-190.78
Dipole, Da:	6.98
IP(EA), eV:	-9.08(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-methylpyrazolo[3,4-d]pyrimidin-4-yl)-N-[1-(oxolan-2-yl)propan-2-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(CC1CCCO1)NC(=O)N2CCN(CC2)C(=O)CN3CCOCC3

DOS

IR

Vibrations