Geometry & MOs

Info

ID:	355418
PubChem CID:	127288481
Reduced:	ON2C8H12 (2)
Stoich.:	AB2C8D12 (2)
Weight, g/mol:	349.16848
ΔH_f, kcal/mol:	-74.01
Dipole, Da:	10.0
IP(EA), eV:	-9.41(0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-3-(1-methyltetrazol-5-yl)sulfanylpropan-1-one

Drug info:

PubChemData

Smile

CCC1=NC=CN1C2CCCN(C2)C(=O)C3CCC(=O)NC3

DOS

IR

Vibrations