Geometry & MOs

Info

ID:	419159
PubChem CID:	135107631
Reduced:	ClO3N4C16H19 (1)
Stoich.:	AB3C4D16E19 (1)
Weight, g/mol:	329.185175
ΔH_f, kcal/mol:	-60.58
Dipole, Da:	5.16
IP(EA), eV:	-9.15(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@H]2O)CC(=O)NC3=NC=C(C=C3)Cl

DOS

IR

Vibrations