Geometry & MOs

Info

ID:	152921
PubChem CID:	56312012
Reduced:	ClON2C21H25 (1)
Stoich.:	ABC2D21E25 (1)
Weight, g/mol:	454.17871
ΔH_f, kcal/mol:	-20.31
Dipole, Da:	2.53
IP(EA), eV:	-8.88(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methylphenyl)-1-[4-[[1-(4-methylsulfonylphenyl)tetrazol-5-yl]methyl]piperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)C(C)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations