Geometry & MOs

Info

ID:	202978
PubChem CID:	79755841
Reduced:	SF2N2O3H8C11 (1)
Stoich.:	AB2C2D3E8F11 (1)
Weight, g/mol:	294.092832
ΔH_f, kcal/mol:	-88.19
Dipole, Da:	4.02
IP(EA), eV:	-9.72(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-difluoro-3-nitrophenyl)-6-propan-2-ylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC(C1=CSC(=N1)C2=C(C=CC(=C2F)[N+](=O)[O-])F)O

DOS

IR

Vibrations