Geometry & MOs

Info

ID:	304539
PubChem CID:	124756221
Reduced:	ON5C18H25 (1)
Stoich.:	AB5C18D25 (1)
Weight, g/mol:	327.20591
ΔH_f, kcal/mol:	1.84
Dipole, Da:	6.7
IP(EA), eV:	-8.6(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-4-piperidin-1-ylbenzamide

Drug info:

PubChemData

Smile

CCN1C(=NC=N1)[C@H](C)NC(=O)C2=CC=C(C=C2)N3CCCCC3

DOS

IR

Vibrations