Geometry & MOs

Info

ID:	193967
PubChem CID:	78460650
Reduced:	N4O4C19H22 (1)
Stoich.:	A4B4C19D22 (1)
Weight, g/mol:	356.268845
ΔH_f, kcal/mol:	-99.02
Dipole, Da:	7.27
IP(EA), eV:	-8.73(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

1-[[1-(3-methylbutyl)tetrazol-5-yl]-phenylmethyl]-4-prop-2-enylpiperazine-1,4-diium

Drug info:

PubChemData

Smile

CCCCN1C(=O)C(=CC2=C(NN(C2=O)C3=CC=CC=C3)COC)NC1=O

DOS

IR

Vibrations