Geometry & MOs

Info

ID:	141613
PubChem CID:	52902655
Reduced:	N2O3C14H14 (1)
Stoich.:	A2B3C14D14 (1)
Weight, g/mol:	343.16444
ΔH_f, kcal/mol:	-71.31
Dipole, Da:	5.92
IP(EA), eV:	-9.72(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[1-[4-methyl-3-(tetrazol-1-yl)benzoyl]piperidin-4-yl]acetate

Drug info:

PubChemData

Smile

CC1([C@H]([C@H]1C(=O)O)C(=O)NC2=CC=CC=C2C#N)C

DOS

IR

Vibrations