Geometry & MOs

Info

ID:	448455
PubChem CID:	135291064
Reduced:	O2C13H14 (1)
Stoich.:	A2B13C14 (1)
Weight, g/mol:	442.211724
ΔH_f, kcal/mol:	-29.53
Dipole, Da:	2.31
IP(EA), eV:	-9.43(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-(3-morpholin-4-ylanilino)pyrimidin-2-yl]-2-[(3R)-pyrrolidin-3-yl]oxybenzonitrile

Drug info:

PubChemData

Smile

C#C[C@]1(CCO[C@@H](C1)C2=CC=CC=C2)O

DOS

IR

Vibrations