Geometry & MOs

Info

ID:	257941
PubChem CID:	103149261
Reduced:	OF2N3C12H21 (1)
Stoich.:	AB2C3D12E21 (1)
Weight, g/mol:	290.191818
ΔH_f, kcal/mol:	-134.86
Dipole, Da:	5.12
IP(EA), eV:	-8.81(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,2-difluoroethoxy)-N-methyl-1-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]butan-2-amine

Drug info:

PubChemData

Smile

CCN1C=CN=C1CC(CCOCC(F)F)NC

DOS

IR

Vibrations