Geometry & MOs

Info

ID:	266552
PubChem CID:	103570548
Reduced:	BrN5C12H16 (1)
Stoich.:	AB5C12D16 (1)
Weight, g/mol:	357.04504
ΔH_f, kcal/mol:	52.87
Dipole, Da:	1.87
IP(EA), eV:	-8.98(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-ethylpyrazol-4-yl)-5-iodo-N-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)C2=NC(=C(C(=N2)N)Br)C(C)C

DOS

IR

Vibrations