Geometry & MOs

Info

ID:	145928
PubChem CID:	53614162
Reduced:	OSN5C18H19 (1)
Stoich.:	ABC5D18E19 (1)
Weight, g/mol:	326.185509
ΔH_f, kcal/mol:	66.29
Dipole, Da:	5.22
IP(EA), eV:	-9.34(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-pyrrolidin-1-ylpiperidin-1-yl)-[2-(tetrazol-1-yl)phenyl]methanone

Drug info:

PubChemData

Smile

CCC(C#N)NC(=O)C1=CC(=NC2=C1C=NN2C(C)C)C3=CC=CS3

DOS

IR

Vibrations