Geometry & MOs

Info

ID:	358021
PubChem CID:	127295557
Reduced:	SN3O3C19H35 (1)
Stoich.:	AB3C3D19E35 (1)
Weight, g/mol:	278.221895
ΔH_f, kcal/mol:	-161.4
Dipole, Da:	7.84
IP(EA), eV:	-8.79(0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-[(1-propan-2-yltetrazol-5-yl)methyl]pyrrolidin-3-yl]piperidine

Drug info:

PubChemData

Smile

CC(C)CN(C1CCS(=O)(=O)C1)C(=O)CN2CCC(C2)N3CCCCC3

DOS

IR

Vibrations