Geometry & MOs

Info

ID:	316726
PubChem CID:	126631653
Reduced:	NO2C7H12 (2)
Stoich.:	AB2C7D12 (2)
Weight, g/mol:	332.176087
ΔH_f, kcal/mol:	-196.39
Dipole, Da:	2.81
IP(EA), eV:	-9.88(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[5-(4-fluorophenyl)-2-methyl-1H-1,2,4-triazin-3-yl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CCCC(C)(C)OC(=O)N1CCC(=N)C[C@@H]1C(=O)OC

DOS

IR

Vibrations