Geometry & MOs

Info

ID:	402915
PubChem CID:	135057837
Reduced:	OC9H9 (2)
Stoich.:	AB9C9 (2)
Weight, g/mol:	245.141579
ΔH_f, kcal/mol:	-38.3
Dipole, Da:	4.49
IP(EA), eV:	-9.34(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pentan-2-yl 1-methylindole-3-carboxylate

Drug info:

PubChemData

Smile

C=C(C[C@@H](CC(=O)O)C1=CC=CC=C1)C2=CC=CC=C2

DOS

IR

Vibrations