Geometry & MOs

Info

ID:	198025
PubChem CID:	79033649
Reduced:	BrOSN3C10H10 (1)
Stoich.:	ABCD3E10F10 (1)
Weight, g/mol:	232.132411
ΔH_f, kcal/mol:	26.02
Dipole, Da:	2.03
IP(EA), eV:	-8.34(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=CN=C(C1=O)NCC2=C(C=CS2)Br

DOS

IR

Vibrations