Geometry & MOs

Info

ID:	349820
PubChem CID:	127276212
Reduced:	ClON5C20H26 (1)
Stoich.:	ABC5D20E26 (1)
Weight, g/mol:	338.188881
ΔH_f, kcal/mol:	9.93
Dipole, Da:	2.32
IP(EA), eV:	-8.46(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-methyltetrazol-5-yl)sulfanyl-1-[2-(piperidin-1-ylmethyl)pyrrolidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=C(N=NN1C2=CC(=CC=C2)Cl)C(=O)N3CCCC3CN4CCCCC4

DOS

IR

Vibrations