Geometry & MOs

Info

ID:	227332
PubChem CID:	87561323
Reduced:	AsNOC9H12 (1)
Stoich.:	ABCD9E12 (1)
Weight, g/mol:	471.183044
ΔH_f, kcal/mol:	-5.79
Dipole, Da:	5.1
IP(EA), eV:	-9.15(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[4-[4-[(2,2-difluoroethylamino)methyl]piperidin-1-yl]furo[3,2-d]pyrimidin-2-yl]amino]indazole-1-carboxylic acid

Drug info:

PubChemData

Smile

C[As](C)C1=CC=C(C=C1)C(=O)N

DOS

IR

Vibrations