Geometry & MOs

Info

ID:	387491
PubChem CID:	134985566
Reduced:	SbN2O2Cl6H9C10 (1)
Stoich.:	AB2C2D6E9F10 (1)
Weight, g/mol:	453.201219
ΔH_f, kcal/mol:	-126.35
Dipole, Da:	6.17
IP(EA), eV:	-10.52(-3.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(4-nitrophenyl)-3-[(2,4,5-trimethoxyphenyl)methyl]triazol-4-yl]piperidine

Drug info:

PubChemData

Smile

CC(=O)/C(=C(/C1=CC=CC=C1)\O)/[N+]#N.Cl[Sb-](Cl)(Cl)(Cl)(Cl)Cl

DOS

IR

Vibrations