Geometry & MOs

Info

ID:	418868
PubChem CID:	135107001
Reduced:	ClO2N4C22H31 (1)
Stoich.:	AB2C4D22E31 (1)
Weight, g/mol:	295.126695
ΔH_f, kcal/mol:	-24.64
Dipole, Da:	4.12
IP(EA), eV:	-8.4(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-4-N,4-N-dimethyl-2-N-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2O)CCCN3CCN(CC3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations