Geometry & MOs

Info

ID:	411597
PubChem CID:	135084429
Reduced:	BrNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	219.089543
ΔH_f, kcal/mol:	-109.0
Dipole, Da:	2.08
IP(EA), eV:	-9.64(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(methoxymethyl)indole-6-carboxylate

Drug info:

PubChemData

Smile

COC(=O)N(C1CCOCC1)C2=CC=CC=C2Br

DOS

IR

Vibrations