Geometry & MOs

Info

ID:	192521
PubChem CID:	78279752
Reduced:	NSO6C25H25 (1)
Stoich.:	ABC6D25E25 (1)
Weight, g/mol:	343.16444
ΔH_f, kcal/mol:	-198.12
Dipole, Da:	2.7
IP(EA), eV:	-9.49(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(3,5-dimethylpiperidin-1-yl)-2-oxoethyl] 4-(tetrazol-1-yl)benzoate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C)S(=O)(=O)OC2=CC=CC=C2C(=O)OCC(=O)NC(C)C3=CC=CC=C3

DOS

IR

Vibrations