Geometry & MOs

Info

ID:	143677
PubChem CID:	53246697
Reduced:	N5O7C51H77 (1)
Stoich.:	A5B7C51D77 (1)
Weight, g/mol:	341.164046
ΔH_f, kcal/mol:	-303.22
Dipole, Da:	10.68
IP(EA), eV:	-8.82(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-ethyl-5-methyl-2-[2-(1-methyl-4-phenylimidazol-2-yl)ethynyl]-[1,2,4]triazolo[1,5-a]pyridine

Drug info:

PubChemData

Smile

CCCCCCCC/C=C\CCCCCCCC(=O)O.CN1C=C(C=N1)C2=CC=C(C=C2)CCOCCC(=O)N(CCNCCC3=C4C(=C(C=C3)O)NC(=O)CO4)C5CCCCC5

DOS

IR

Vibrations