Geometry & MOs

Info

ID:	403017
PubChem CID:	135058340
Reduced:	BNO3C21H30 (1)
Stoich.:	ABC3D21E30 (1)
Weight, g/mol:	315.219829
ΔH_f, kcal/mol:	-185.48
Dipole, Da:	1.93
IP(EA), eV:	-8.93(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-2-(1,2-dimethylindol-3-yl)octanoate

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=C3C(=CC=C2)C=CC(=N3)CCCCCOC

DOS

IR

Vibrations