Geometry & MOs

Info

ID:	404889
PubChem CID:	135071667
Reduced:	BrON3C12H12 (1)
Stoich.:	ABC3D12E12 (1)
Weight, g/mol:	313.204179
ΔH_f, kcal/mol:	6.81
Dipole, Da:	2.33
IP(EA), eV:	-9.24(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-ethyl-5-methoxyindol-2-yl)-2-methyloct-3-yn-1-ol

Drug info:

PubChemData

Smile

CC1=NC(=C(C=C1)N(C)C(=O)C2=CC=CN2)Br

DOS

IR

Vibrations