Geometry & MOs

Info

ID:	403294
PubChem CID:	135059592
Reduced:	BBrNO3C14H18 (1)
Stoich.:	ABCD3E14F18 (1)
Weight, g/mol:	416.173607
ΔH_f, kcal/mol:	-172.51
Dipole, Da:	0.82
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.039245
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(1,3-dioxoisoindol-2-yl)-3-[1-(2-methylbut-3-en-2-yl)indol-3-yl]propanoate

Drug info:

PubChemData

Smile

[B-]12(C3=C(C(=CC=C3)Br)N=C(O1)C)OC(C(O2)(C)C)(C)C

DOS

IR

Vibrations