Geometry & MOs

Info

ID:	304577
PubChem CID:	124756331
Reduced:	ON7C14H19 (1)
Stoich.:	AB7C14D19 (1)
Weight, g/mol:	301.165108
ΔH_f, kcal/mol:	44.99
Dipole, Da:	2.33
IP(EA), eV:	-9.25(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-pyridin-2-yl-2-[4-(1H-1,2,4-triazol-5-yl)piperazin-1-yl]propanamide

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=N1)N2CCN(CC2)C3=NC=NN3

DOS

IR

Vibrations