Geometry & MOs

Info

ID:	347051
PubChem CID:	127271555
Reduced:	ON5C15H25 (1)
Stoich.:	AB5C15D25 (1)
Weight, g/mol:	321.191323
ΔH_f, kcal/mol:	-22.41
Dipole, Da:	7.18
IP(EA), eV:	-9.53(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-(cyclopropylamino)-2-oxoethyl]-N-[2-(1,2,4-triazol-1-yl)ethyl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1(CC2CC(C1)(CN2C(=O)NCCN3C=NC=N3)C)C

DOS

IR

Vibrations