Geometry & MOs

Info

ID:	210511
PubChem CID:	80817344
Reduced:	ClN5C13H16 (1)
Stoich.:	AB5C13D16 (1)
Weight, g/mol:	238.068846
ΔH_f, kcal/mol:	61.13
Dipole, Da:	5.16
IP(EA), eV:	-8.84(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-4-N-[(5-methylthiophen-2-yl)methyl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N(C)C2=NC(=NC(=N2)NC)Cl

DOS

IR

Vibrations