Geometry & MOs

Info

ID:	347038
PubChem CID:	127271542
Reduced:	O3N7C15H21 (1)
Stoich.:	A3B7C15D21 (1)
Weight, g/mol:	321.137179
ΔH_f, kcal/mol:	-24.53
Dipole, Da:	6.97
IP(EA), eV:	-9.77(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1,3-thiazol-4-ylmethyl)-N-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=NO1)NC(=O)C2CCN(CC2)C(=O)NCCN3C=NC=N3

DOS

IR

Vibrations