Geometry & MOs

Info

ID:	346681
PubChem CID:	127271185
Reduced:	SO2N4C20H22 (1)
Stoich.:	AB2C4D20E22 (1)
Weight, g/mol:	341.196408
ΔH_f, kcal/mol:	29.21
Dipole, Da:	3.46
IP(EA), eV:	-8.8(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)methyl]piperazin-1-yl]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C(=CC=N1)C2CCCN(C2)CC3=CSC(=N3)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations