Geometry & MOs

Info

ID:	383958
PubChem CID:	134976056
Reduced:	LiON2C12H19 (1)
Stoich.:	ABC2D12E19 (1)
Weight, g/mol:	208.132411
ΔH_f, kcal/mol:	-28.31
Dipole, Da:	4.98
IP(EA), eV:	-6.44(1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-cyclohexyltetrazol-5-yl)propan-2-one

Drug info:

PubChemData

Smile

[Li+].COCC1CCCN1[N-]C2=CCCC=C2

DOS

IR

Vibrations