Geometry & MOs

Info

ID:	181261
PubChem CID:	76723644
Reduced:	SO2N9C17H21 (1)
Stoich.:	AB2C9D17E21 (1)
Weight, g/mol:	349.201494
ΔH_f, kcal/mol:	40.01
Dipole, Da:	5.07
IP(EA), eV:	-9.02(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3,5-dimethylpiperazin-1-yl)pyridin-4-yl]-N-phenyl-1,2,4-triazol-3-amine

Drug info:

PubChemData

Smile

C1CC(CNC1)NC2=CC(=NC=N2)N3C=NC(=N3)NC4=CC=C(C=C4)S(=O)(=O)N

DOS

IR

Vibrations