Geometry & MOs

Info

ID:	249037
PubChem CID:	103086398
Reduced:	OSN5C13H21 (1)
Stoich.:	ABC5D13E21 (1)
Weight, g/mol:	341.06514
ΔH_f, kcal/mol:	36.39
Dipole, Da:	5.11
IP(EA), eV:	-9.36(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)CN2C(=NN=N2)C(C)NCCOC)C

DOS

IR

Vibrations