Geometry & MOs

Info

ID:	342260
PubChem CID:	127265037
Reduced:	SO2N4C20H32 (1)
Stoich.:	AB2C4D20E32 (1)
Weight, g/mol:	262.117824
ΔH_f, kcal/mol:	-48.7
Dipole, Da:	3.13
IP(EA), eV:	-8.71(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-3-nitro-N-[3-(1,2,4-triazol-1-yl)propyl]pyridin-2-amine

Drug info:

PubChemData

Smile

CC(=O)N(C1CC1)C2=NC(=CS2)CN3CCC(CC3)CCN4CCOCC4

DOS

IR

Vibrations