Geometry & MOs

Info

ID:	248947
PubChem CID:	103085798
Reduced:	SN5C12H19 (1)
Stoich.:	AB5C12D19 (1)
Weight, g/mol:	291.185924
ΔH_f, kcal/mol:	80.93
Dipole, Da:	6.41
IP(EA), eV:	-9.41(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C(C1=CC=CS1)N2C(=NN=N2)C(C)NC

DOS

IR

Vibrations