Geometry & MOs

Info

ID:	153172
PubChem CID:	56312322
Reduced:	NO2C12H15 (2)
Stoich.:	AB2C12D15 (2)
Weight, g/mol:	470.173625
ΔH_f, kcal/mol:	-139.83
Dipole, Da:	4.75
IP(EA), eV:	-8.58(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[3-methyl-4-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)OC)NC(=O)CN2CCC(CC2)CC3=CC=C(C=C3)OC

DOS

IR

Vibrations