Geometry & MOs

Info

ID:	249075
PubChem CID:	103086653
Reduced:	BrClN5C10H11 (1)
Stoich.:	ABC5D10E11 (1)
Weight, g/mol:	351.10586
ΔH_f, kcal/mol:	79.94
Dipole, Da:	6.47
IP(EA), eV:	-9.34(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[1-(2-bromo-4,6-dimethylphenyl)tetrazol-5-yl]ethyl]-2-methylpropan-1-amine

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations