Geometry & MOs

Info

ID:	165552
PubChem CID:	74565014
Reduced:	N3O4H19C23 (1)
Stoich.:	A3B4C19D23 (1)
Weight, g/mol:	403.201312
ΔH_f, kcal/mol:	-1.67
Dipole, Da:	4.43
IP(EA), eV:	-9.35(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-[(4-chlorophenyl)-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]methyl]-4-prop-2-enylpiperazin-4-ium

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNC(=O)C2=CC=C(C=C2)NC(=O)C=CC3=CC=C(C=C3)[N+](=O)[O-]

DOS

IR

Vibrations