Geometry & MOs

Info

ID:	248855
PubChem CID:	103085009
Reduced:	BrON5C13H18 (1)
Stoich.:	ABC5D13E18 (1)
Weight, g/mol:	263.154624
ΔH_f, kcal/mol:	36.08
Dipole, Da:	8.22
IP(EA), eV:	-9.18(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(4-fluorophenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)N2C(=NN=N2)C(C)NCCOC)Br

DOS

IR

Vibrations