Geometry & MOs

Info

ID:	194207
PubChem CID:	78497453
Reduced:	FNO2H12C17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	323.146778
ΔH_f, kcal/mol:	-20.13
Dipole, Da:	4.71
IP(EA), eV:	-9.63(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[[4-amino-6-(3,5-dimethylpiperidin-1-yl)-5-nitropyrimidin-2-yl]amino]acetate

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)C=CC(=O)C2=CC=C(C=C2)OCC#N

DOS

IR

Vibrations