Geometry & MOs

Info

ID:	413068
PubChem CID:	135086012
Reduced:	IN2O2C17H19 (1)
Stoich.:	AB2C2D17E19 (1)
Weight, g/mol:	406.10446
ΔH_f, kcal/mol:	9.65
Dipole, Da:	4.32
IP(EA), eV:	-8.94(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-bromo-1-(4-phenylbut-3-ynyl)indol-3-yl]-N-tert-butylmethanimine

Drug info:

PubChemData

Smile

COCN1C2=CC=CC=C2C(=C1I)C(=O)N(CC=C)CC=C

DOS

IR

Vibrations