Geometry & MOs

Info

ID:	249040
PubChem CID:	103086414
Reduced:	SN5C13H15 (1)
Stoich.:	AB5C13D15 (1)
Weight, g/mol:	351.10586
ΔH_f, kcal/mol:	109.38
Dipole, Da:	6.26
IP(EA), eV:	-9.26(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNC(C)C1=NN=NN1C2=CC3=C(C=C2)SC=C3

DOS

IR

Vibrations