Geometry & MOs

Info

ID:	248868
PubChem CID:	103085096
Reduced:	FON5C12H16 (1)
Stoich.:	ABC5D12E16 (1)
Weight, g/mol:	281.145202
ΔH_f, kcal/mol:	13.88
Dipole, Da:	7.2
IP(EA), eV:	-9.46(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(3,4-difluorophenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

CC(C1=NN=NN1C2=CC=CC=C2F)NCCOC

DOS

IR

Vibrations