Geometry & MOs

Info

ID:	172097
PubChem CID:	75466187
Reduced:	NO3I4H9C16 (1)
Stoich.:	AB3C4D9E16 (1)
Weight, g/mol:	349.120861
ΔH_f, kcal/mol:	21.74
Dipole, Da:	2.28
IP(EA), eV:	-8.93(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-benzyltriazol-4-yl)-(4-methylsulfonylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN2C(=O)C3=C(C2=O)C(=C(C(=C3I)I)I)I

DOS

IR

Vibrations