Geometry & MOs

Info

ID:	233237
PubChem CID:	89449397
Reduced:	NO4C10H15 (1)
Stoich.:	AB4C10D15 (1)
Weight, g/mol:	450.249172
ΔH_f, kcal/mol:	-190.79
Dipole, Da:	8.93
IP(EA), eV:	-10.44(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-3-[4-[1-(1-methylpiperidin-4-yl)-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-yl]phenyl]urea

Drug info:

PubChemData

Smile

C1CC(CC(=O)CCNC(=O)C1)C(=O)O

DOS

IR

Vibrations