Geometry & MOs

Info

ID:	363758
PubChem CID:	127313398
Reduced:	SO2N5C14H21 (1)
Stoich.:	AB2C5D14E21 (1)
Weight, g/mol:	306.180424
ΔH_f, kcal/mol:	-18.89
Dipole, Da:	6.41
IP(EA), eV:	-8.89(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(cyclobutanecarbonyl)piperazin-1-yl]ethyl]-2H-triazole-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(C1)C(=O)N2CCN(CC2)CCNC(=O)C3=CN=NS3

DOS

IR

Vibrations