Geometry & MOs

Info

ID:	286822
PubChem CID:	104222529
Reduced:	OF3N5C12H14 (1)
Stoich.:	AB3C5D12E14 (1)
Weight, g/mol:	300.98244
ΔH_f, kcal/mol:	-103.69
Dipole, Da:	7.43
IP(EA), eV:	-9.82(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-iodopyrazol-1-yl)pyrimidin-5-yl]methanamine

Drug info:

PubChemData

Smile

COCCNCC1=CN=C(N=C1)N2C=C(C=N2)C(F)(F)F

DOS

IR

Vibrations