Geometry & MOs

Info

ID:	216413
PubChem CID:	85086197
Reduced:	NSO2C14H19 (1)
Stoich.:	ABC2D14E19 (1)
Weight, g/mol:	266.080376
ΔH_f, kcal/mol:	-46.22
Dipole, Da:	5.16
IP(EA), eV:	-8.65(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-8-(furan-3-yl)-5H-[1,2,4]triazolo[4,3-a]quinolin-1-one

Drug info:

PubChemData

Smile

CCCC(C#N)(C(C)S(=O)C1=CC=C(C=C1)C)O

DOS

IR

Vibrations