Geometry & MOs

Info

ID:	227340
PubChem CID:	87561363
Reduced:	N4O5H28C30 (1)
Stoich.:	A4B5C28D30 (1)
Weight, g/mol:	490.230409
ΔH_f, kcal/mol:	-61.72
Dipole, Da:	7.56
IP(EA), eV:	-8.38(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(2,2-difluoroethylamino)methyl]piperidin-1-yl]-N-(3-fluoro-4-morpholin-4-ylphenyl)furo[3,2-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CC(C1=C/C(=C\2/NNC(=O)N2C3=CC4=C(C=C3)N(C=C4)C)/C(=O)C=C1O)C(CC5=CC=CC=C5)C6=COCO6

DOS

IR

Vibrations