Geometry & MOs

Info

ID:	248998
PubChem CID:	103086140
Reduced:	OSN5C11H17 (1)
Stoich.:	ABC5D11E17 (1)
Weight, g/mol:	337.09021
ΔH_f, kcal/mol:	57.51
Dipole, Da:	7.75
IP(EA), eV:	-9.27(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=NN=NN1CC2=CSC=C2)NCCOC

DOS

IR

Vibrations