Geometry & MOs

Info

ID:	28717
PubChem CID:	829137
Reduced:	FO5H13C18 (1)
Stoich.:	AB5C13D18 (1)
Weight, g/mol:	229.085127
ΔH_f, kcal/mol:	-175.55
Dipole, Da:	6.79
IP(EA), eV:	-8.94(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-propylchromeno[3,4-d]triazol-4-one

Drug info:

PubChemData

Smile

CC1=C(C(=O)C2=C(O1)C=C(C=C2)OC(=O)C)OC3=CC=CC=C3F

DOS

IR

Vibrations