Geometry & MOs

Info

ID:	324388
PubChem CID:	126677561
Reduced:	OC18H36 (2)
Stoich.:	AB18C36 (2)
Weight, g/mol:	390.216809
ΔH_f, kcal/mol:	-227.57
Dipole, Da:	1.52
IP(EA), eV:	-9.43(1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-2-methyl-4-[[6-(3-methylazetidin-1-yl)-2H-pyrazolo[3,4-d]pyrimidin-3-yl]methoxy]benzonitrile

Drug info:

PubChemData

Smile

CCCC(CC)CCCCCCCCCCCOCC(CC)OCCC(C)C(C)CCCC(=C)C(C)(C)C

DOS

IR

Vibrations