Geometry & MOs

Info

ID:	174962
PubChem CID:	75839360
Reduced:	FNO4C20H24 (1)
Stoich.:	ABC4D20E24 (1)
Weight, g/mol:	331.188249
ΔH_f, kcal/mol:	-163.81
Dipole, Da:	9.49
IP(EA), eV:	-8.73(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-[4-[oxolan-2-ylmethyl(pyridin-2-ylmethyl)carbamoyl]triazol-1-yl]ethylazanium

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)C(C(=O)[O-])[NH+](C)CCC2=CC(=C(C=C2)OC)OC)F

DOS

IR

Vibrations