Geometry & MOs

Info

ID:	322241
PubChem CID:	126669493
Reduced:	N2O5C17H34 (1)
Stoich.:	A2B5C17D34 (1)
Weight, g/mol:	432.204052
ΔH_f, kcal/mol:	-253.67
Dipole, Da:	2.05
IP(EA), eV:	-9.0(0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(5-amino-1H-1,2,4-triazol-3-yl)piperidin-4-yl]-6-[(4-chlorophenyl)methyl]-3-methylpiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CCN(CC1)CCOCCOCCOC

DOS

IR

Vibrations