Geometry & MOs

Info

ID:	381268
PubChem CID:	134971952
Reduced:	BCl2C8H11 (1)
Stoich.:	AB2C8D11 (1)
Weight, g/mol:	400.178693
ΔH_f, kcal/mol:	-29.13
Dipole, Da:	2.51
IP(EA), eV:	-9.52(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(4-methoxyanilino)-2-(2-phenyl-1H-indol-3-yl)acetate

Drug info:

PubChemData

Smile

B(C/C=C(/C)\CC#CC)(Cl)Cl

DOS

IR

Vibrations