Geometry & MOs

Info

ID:	311499
PubChem CID:	126592968
Reduced:	BrO2F3N3H17C19 (1)
Stoich.:	AB2C3D3E17F19 (1)
Weight, g/mol:	145.063997
ΔH_f, kcal/mol:	-113.47
Dipole, Da:	4.0
IP(EA), eV:	-8.74(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-methylidenecyclopenta[d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)C(=NC2=CC(=C(C=C2)F)Br)NO)C3=CC(=C(C=C3)F)F

DOS

IR

Vibrations