Geometry & MOs

Info

ID:	210369
PubChem CID:	80796996
Reduced:	ON2C5H8 (2)
Stoich.:	AB2C5D8 (2)
Weight, g/mol:	285.138974
ΔH_f, kcal/mol:	-65.91
Dipole, Da:	4.44
IP(EA), eV:	-9.15(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[[5-fluoro-2-(propylamino)pyrimidin-4-yl]amino]methyl]benzonitrile

Drug info:

PubChemData

Smile

CCNC1=CC(=NC=N1)NCCC(=O)OC

DOS

IR

Vibrations