Geometry & MOs

Info

ID:	139995
PubChem CID:	52627812
Reduced:	ClN2O3C20H25 (1)
Stoich.:	AB2C3D20E25 (1)
Weight, g/mol:	443.259306
ΔH_f, kcal/mol:	-117.53
Dipole, Da:	5.82
IP(EA), eV:	-8.62(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(1-cyclopentyltetrazol-5-yl)sulfanyl-N-[[4-[[(3R,5R)-3,5-dimethylpiperidin-1-ium-1-yl]methyl]phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)OCCCC(=O)NCC2=C(N=CC=C2)OC(C)C)Cl

DOS

IR

Vibrations