Geometry & MOs

Info

ID:	299782
PubChem CID:	117689410
Reduced:	N3O5C27H33 (1)
Stoich.:	A3B5C27D33 (1)
Weight, g/mol:	312.14605
ΔH_f, kcal/mol:	-123.32
Dipole, Da:	7.63
IP(EA), eV:	-8.82(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

(2-cyclopropyltriazol-1-ium-4-yl)-[6-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-yl]methanol

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)C2=CC(=C3C(=C2)N(C(=N3)C4CC4)C(=O)OC(C)(C)C)C([C@H]5CCC6(O5)CC6)O

DOS

IR

Vibrations