Geometry & MOs

Info

ID:	210289
PubChem CID:	80785619
Reduced:	O3N5C13H19 (1)
Stoich.:	A3B5C13D19 (1)
Weight, g/mol:	240.175025
ΔH_f, kcal/mol:	-35.13
Dipole, Da:	4.27
IP(EA), eV:	-9.11(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-4-N-(3-methylbutyl)-2-N-propylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCNC1=NC(=C(C=C1)[N+](=O)[O-])N2CCCC2C(=O)NC

DOS

IR

Vibrations