Geometry & MOs

Info

ID:	396491
PubChem CID:	135028578
Reduced:	SO4H14C18 (1)
Stoich.:	AB4C14D18 (1)
Weight, g/mol:	379.153206
ΔH_f, kcal/mol:	-50.63
Dipole, Da:	5.46
IP(EA), eV:	-8.91(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[1-(2,4-dimethoxyphenyl)-5H-triazolo[5,1-a]isoindol-5-yl]propanoate

Drug info:

PubChemData

Smile

COC(=O)[C@]1(C[C@H]1C2=CC=CC=C2C#CC3=CC=CS3)C(=O)O

DOS

IR

Vibrations