Geometry & MOs

Info

ID:	248832
PubChem CID:	103084771
Reduced:	ClN5C13H18 (1)
Stoich.:	AB5C13D18 (1)
Weight, g/mol:	251.093773
ΔH_f, kcal/mol:	73.26
Dipole, Da:	5.54
IP(EA), eV:	-9.59(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(2-chloro-4-methylphenyl)tetrazol-5-yl]-N-methylethanamine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations