Geometry & MOs

Info

ID:	276971
PubChem CID:	103826065
Reduced:	ClN2O3C12H15 (1)
Stoich.:	AB2C3D12E15 (1)
Weight, g/mol:	222.091689
ΔH_f, kcal/mol:	-115.36
Dipole, Da:	3.07
IP(EA), eV:	-10.21(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoropyrimidin-2-amine

Drug info:

PubChemData

Smile

CCC(C)N(CC(=O)O)C(=O)C1=C(N=CC=C1)Cl

DOS

IR

Vibrations