Geometry & MOs

Info

ID:	275305
PubChem CID:	103815052
Reduced:	ON5C11H13 (1)
Stoich.:	AB5C11D13 (1)
Weight, g/mol:	266.185509
ΔH_f, kcal/mol:	21.67
Dipole, Da:	6.77
IP(EA), eV:	-8.94(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C1=NC=NN1)NC(=O)C2=CC(=CC=C2)N

DOS

IR

Vibrations