Geometry & MOs

Info

ID:	179890
PubChem CID:	76550223
Reduced:	OC12H20 (1)
Stoich.:	AB12C20 (1)
Weight, g/mol:	514.168871
ΔH_f, kcal/mol:	-76.13
Dipole, Da:	2.53
IP(EA), eV:	-9.16(1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclobutyloxy-N-(5-methylpyrazin-2-yl)-2-[1-[3-(trifluoromethyl)pyridin-2-yl]pyrazolo[3,4-d]pyrimidin-4-yl]oxypropanamide

Drug info:

PubChemData

Smile

CC1CCC(C2C1CCC(=C2)C)O

DOS

IR

Vibrations