Geometry & MOs

Info

ID:	248383
PubChem CID:	103081205
Reduced:	F2N2O3C12H16 (1)
Stoich.:	A2B2C3D12E16 (1)
Weight, g/mol:	220.113567
ΔH_f, kcal/mol:	-137.82
Dipole, Da:	6.16
IP(EA), eV:	-9.61(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,2-difluoroethoxy)-N-[(3-methyltriazol-4-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CNCCOCC(F)F)[N+](=O)[O-]

DOS

IR

Vibrations