Geometry & MOs

Info

ID:	232964
PubChem CID:	87577824
Reduced:	ICl2N2O5C21H23 (1)
Stoich.:	AB2C2D5E21F23 (1)
Weight, g/mol:	349.130553
ΔH_f, kcal/mol:	-177.5
Dipole, Da:	9.7
IP(EA), eV:	-8.79(-3.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-4-N-[(4-methoxy-3,5-dimethylpyridin-2-yl)methyl]-5-(oxiran-2-ylmethyl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Cl)N(C(C)C)C(=O)N(CC(=O)O)I)Cl)O

DOS

IR

Vibrations