Geometry & MOs

Info

ID:	349167
PubChem CID:	127274893
Reduced:	O2N8C13H18 (1)
Stoich.:	A2B8C13D18 (1)
Weight, g/mol:	392.174293
ΔH_f, kcal/mol:	38.36
Dipole, Da:	4.93
IP(EA), eV:	-9.48(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(1-tert-butylimidazol-2-yl)sulfanylacetyl]piperazin-1-yl]-2-(tetrazol-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=CN(N=C1)CC(=O)N2CCN(CC2)C(=O)CN3C=NN=N3

DOS

IR

Vibrations