Geometry & MOs

Info

ID:	210405
PubChem CID:	80802684
Reduced:	ClF2N4C14H15 (1)
Stoich.:	AB2C4D14E15 (1)
Weight, g/mol:	308.120403
ΔH_f, kcal/mol:	-47.19
Dipole, Da:	3.16
IP(EA), eV:	-8.78(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[(3-chloro-4-fluorophenyl)methyl]-6-methyl-2-N-propylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCCNC1=NC=C(C(=N1)NCC2=CC(=C(C=C2)F)Cl)F

DOS

IR

Vibrations