Geometry & MOs

Info

ID:	279601
PubChem CID:	103844438
Reduced:	FON3C11H18 (1)
Stoich.:	ABC3D11E18 (1)
Weight, g/mol:	213.15896
ΔH_f, kcal/mol:	-71.91
Dipole, Da:	2.99
IP(EA), eV:	-9.08(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethyl-2-[[(1-methyltetrazol-5-yl)amino]methyl]butan-1-ol

Drug info:

PubChemData

Smile

CCC(CC)(CNC1=NC=C(C=N1)F)CO

DOS

IR

Vibrations