Geometry & MOs

Info

ID:	175427
PubChem CID:	75903713
Reduced:	ClN3O3C19H24 (1)
Stoich.:	AB3C3D19E24 (1)
Weight, g/mol:	315.193334
ΔH_f, kcal/mol:	-121.89
Dipole, Da:	6.57
IP(EA), eV:	-9.65(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

N-[4-[(2-methylpiperidin-1-ium-1-yl)methyl]phenyl]-2-(tetrazol-1-yl)acetamide

Drug info:

PubChemData

Smile

CCOC(=O)NC(CC(C)C)CNC(=O)C1=C2C(=CC(=C1)Cl)C=CC=N2

DOS

IR

Vibrations