Geometry & MOs

Info

ID:	205184
PubChem CID:	80066114
Reduced:	ION4C14H17 (1)
Stoich.:	ABC4D14E17 (1)
Weight, g/mol:	384.04471
ΔH_f, kcal/mol:	20.37
Dipole, Da:	3.56
IP(EA), eV:	-8.96(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-iodo-2-[(6-methoxypyridin-3-yl)methyl]-N-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=C1I)C)CC2=CN=C(C=C2)OC

DOS

IR

Vibrations