Geometry & MOs

Info

ID:	207690
PubChem CID:	80439112
Reduced:	ION3C15H24 (1)
Stoich.:	ABC3D15E24 (1)
Weight, g/mol:	407.08922
ΔH_f, kcal/mol:	-34.61
Dipole, Da:	2.82
IP(EA), eV:	-8.96(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-5-iodo-6-(2-methylpropyl)-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=C1I)CC(C)C)C2CCCOC2

DOS

IR

Vibrations