Geometry & MOs

Info

ID:	203764
PubChem CID:	79867682
Reduced:	ClFO2N3C12H15 (1)
Stoich.:	ABC2D3E12F15 (1)
Weight, g/mol:	248.138559
ΔH_f, kcal/mol:	-47.27
Dipole, Da:	5.56
IP(EA), eV:	-9.03(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-(4-amino-3-methylpiperidin-1-yl)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

Drug info:

PubChemData

Smile

CC1CN(CCC1N)C2=CC(=C(C=C2[N+](=O)[O-])Cl)F

DOS

IR

Vibrations