Geometry & MOs

Info

ID:	162830
PubChem CID:	57571070
Reduced:	F2O3N5C23H31 (1)
Stoich.:	A2B3C5D23E31 (1)
Weight, g/mol:	428.253589
ΔH_f, kcal/mol:	-196.96
Dipole, Da:	5.08
IP(EA), eV:	-8.33(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

propan-2-yl 4-[6-[methyl-(2-methyl-4,5,6,7-tetrahydroindazol-3-yl)amino]pyrimidin-4-yl]oxypiperidine-1-carboxylate

Drug info:

PubChemData

Smile

CCCCNC1=CC(=C(C=C1F)NC2=CC(=NC=N2)OC3CCN(CC3)C(=O)OC(C)C)F

DOS

IR

Vibrations