Geometry & MOs

Info

ID:	327040
PubChem CID:	126688909
Reduced:	O2C5H6 (3)
Stoich.:	A2B5C6 (3)
Weight, g/mol:	635.379518
ΔH_f, kcal/mol:	-247.2
Dipole, Da:	3.3
IP(EA), eV:	-9.81(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[4-[[4-(cyclohexylamino)-1-(oxan-2-yl)pyrazolo[3,4-d]pyrimidin-6-yl]amino]phenoxy]-N-(oxan-2-yloxy)heptanamide

Drug info:

PubChemData

Smile

CC(C(=O)OC(C)C(=O)OCC1=CC=CC=C1)OC(=O)C

DOS

IR

Vibrations