Geometry & MOs

Info

ID:	54953
PubChem CID:	17389586
Reduced:	S2O4N6C13H20 (1)
Stoich.:	A2B4C6D13E20 (1)
Weight, g/mol:	247.120843
ΔH_f, kcal/mol:	-84.24
Dipole, Da:	7.14
IP(EA), eV:	-9.3(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-butoxy-1H-indole-2-carboxylate

Drug info:

PubChemData

Smile

C(CCCC1=NN=C(S1)N)CCCC2=NN=C(S2)N.C(=O)(C(=O)O)O

DOS

IR

Vibrations