Geometry & MOs

Info

ID:	340505
PubChem CID:	127262516
Reduced:	NO3C12H15 (1)
Stoich.:	AB3C12D15 (1)
Weight, g/mol:	231.125929
ΔH_f, kcal/mol:	-105.06
Dipole, Da:	2.08
IP(EA), eV:	-8.28(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butan-2-yl 2-(1H-indol-3-yl)acetate

Drug info:

PubChemData

Smile

CCOC(=O)C.C1=CC=C2C(=C1)C(=CN2)O

DOS

IR

Vibrations