Geometry & MOs

Info

ID:	251913
PubChem CID:	103107806
Reduced:	O2F3N3C8H10 (1)
Stoich.:	A2B3C3D8E10 (1)
Weight, g/mol:	225.15896
ΔH_f, kcal/mol:	-194.38
Dipole, Da:	3.67
IP(EA), eV:	-10.84(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-N-methyl-2-[(1-methyltriazol-4-yl)methylamino]propanamide

Drug info:

PubChemData

Smile

COC(=O)C1=CN(N=N1)CCCC(F)(F)F

DOS

IR

Vibrations