Geometry & MOs

Info

ID:	439577
PubChem CID:	135229353
Reduced:	FSN4C23H35 (1)
Stoich.:	ABC4D23E35 (1)
Weight, g/mol:	230.153147
ΔH_f, kcal/mol:	-37.04
Dipole, Da:	2.71
IP(EA), eV:	-8.63(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-methyl-1,2,4-triazol-3-yl)-2-pentylpyridine

Drug info:

PubChemData

Smile

CCCCCC(CCCCC)C1(CCN(CC1)C2=NC=C(S2)C3=NC=CC=N3)F

DOS

IR

Vibrations