Geometry & MOs

Info

ID:	210101
PubChem CID:	80763089
Reduced:	FN4C13H15 (1)
Stoich.:	AB4C13D15 (1)
Weight, g/mol:	368.04979
ΔH_f, kcal/mol:	6.49
Dipole, Da:	2.26
IP(EA), eV:	-8.56(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(2-iodophenyl)-2-methyl-6-N-propylpyrimidine-4,6-diamine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)NC2=NC(=NC=C2F)NC

DOS

IR

Vibrations