Geometry & MOs

Info

ID:	206626
PubChem CID:	80274845
Reduced:	SN3C13H23 (1)
Stoich.:	AB3C13D23 (1)
Weight, g/mol:	280.189926
ΔH_f, kcal/mol:	12.24
Dipole, Da:	3.06
IP(EA), eV:	-9.26(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-2-[5-[1-(2-methylpropyl)cyclopentyl]tetrazol-1-yl]propanoic acid

Drug info:

PubChemData

Smile

CCC(C1=NN=C(S1)C2(CCCC2)CC)NC

DOS

IR

Vibrations