Geometry & MOs

Info

ID:	248850
PubChem CID:	103084966
Reduced:	ClON5C11H14 (1)
Stoich.:	ABC5D11E14 (1)
Weight, g/mol:	313.086101
ΔH_f, kcal/mol:	52.57
Dipole, Da:	7.03
IP(EA), eV:	-9.3(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=NN=NN1C2=C(C=CC(=C2)Cl)OC)NC

DOS

IR

Vibrations