Geometry & MOs

Info

ID:	43304
PubChem CID:	10321056
Reduced:	OC15H24 (2)
Stoich.:	AB15C24 (2)
Weight, g/mol:	441.203699
ΔH_f, kcal/mol:	-145.08
Dipole, Da:	5.12
IP(EA), eV:	-9.08(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[6-[5-amino-3-(2-fluoro-4-morpholin-4-ylanilino)-1,2,4-triazol-1-yl]pyrimidin-4-yl]pyrrolidin-3-ol

Drug info:

PubChemData

Smile

C[C@H](CCC=C(C)C)[C@H]1CC[C@@]2([C@@]1(CC[C@@]3([C@H]2C(=O)C=C4[C@H]3CC[C@@H](C4(C)C)O)C)C)C

DOS

IR

Vibrations