Geometry & MOs

Info

ID:	356986
PubChem CID:	127293052
Reduced:	ClON5C19H24 (1)
Stoich.:	ABC5D19E24 (1)
Weight, g/mol:	350.188881
ΔH_f, kcal/mol:	11.46
Dipole, Da:	3.64
IP(EA), eV:	-8.79(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclopentylpyrrolidin-3-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanamide

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC(=CC=C2)Cl)C(=O)NC3CCN(C3)C4CCCC4

DOS

IR

Vibrations