Geometry & MOs

Info

ID:	415045
PubChem CID:	135088031
Reduced:	O6N9C29H43 (1)
Stoich.:	A6B9C29D43 (1)
Weight, g/mol:	395.19574
ΔH_f, kcal/mol:	-189.68
Dipole, Da:	7.3
IP(EA), eV:	-8.81(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-N-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl]-2-morpholin-4-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)C(=O)CN3C=NN=N3)C(C)C

DOS

IR

Vibrations