Geometry & MOs

Info

ID:	193745
PubChem CID:	78433999
Reduced:	ClON2C21H21 (1)
Stoich.:	ABC2D21E21 (1)
Weight, g/mol:	477.20727
ΔH_f, kcal/mol:	2.69
Dipole, Da:	2.41
IP(EA), eV:	-8.32(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(3,4-dimethoxyphenyl)-[1-(thiophen-2-ylmethyl)tetrazol-5-yl]methyl]-4-phenylpiperazin-1-ium

Drug info:

PubChemData

Smile

CC1(CC2=NC3=CC=CC=C3NC(C2C(=O)C1)C4=CC=CC=C4Cl)C

DOS

IR

Vibrations