Geometry & MOs

Info

ID:	248829
PubChem CID:	103084731
Reduced:	OCl2N5C12H15 (1)
Stoich.:	AB2C5D12E15 (1)
Weight, g/mol:	289.19026
ΔH_f, kcal/mol:	41.86
Dipole, Da:	6.24
IP(EA), eV:	-9.87(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=NN=NN1C2=CC(=C(C=C2)Cl)Cl)NCCOC

DOS

IR

Vibrations