Geometry & MOs

Info

ID:	408310
PubChem CID:	135081075
Reduced:	NSO3C11H21 (1)
Stoich.:	ABC3D11E21 (1)
Weight, g/mol:	239.17461
ΔH_f, kcal/mol:	-137.86
Dipole, Da:	6.67
IP(EA), eV:	-9.05(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1-cyclohexyltetrazol-5-yl)methyl]-N-propylhydroxylamine

Drug info:

PubChemData

Smile

CCC/C=C/[C@H](C(=O)O)N[S@](=O)C(C)(C)C

DOS

IR

Vibrations