Geometry & MOs

Info

ID:	372582
PubChem CID:	131300252
Reduced:	BrNO2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	223.120843
ΔH_f, kcal/mol:	-37.0
Dipole, Da:	4.82
IP(EA), eV:	-9.01(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-4,6,7-trimethoxy-2-methyl-2,3-dihydro-1H-indole

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)CCC#N)Br)O

DOS

IR

Vibrations