Geometry & MOs

Info

ID:	413907
PubChem CID:	135086858
Reduced:	BrN2C26H27 (1)
Stoich.:	AB2C26D27 (1)
Weight, g/mol:	531.107576
ΔH_f, kcal/mol:	115.11
Dipole, Da:	2.82
IP(EA), eV:	-8.33(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[9-[4-(1,3-dioxoisoindol-2-yl)butyl]-1-methylpyrido[3,4-b]indol-7-yl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

CC(C)(C)N=CC1=C(N(C2=CC=CC=C21)CCCC#C/C=C/C3=CC=CC=C3)Br

DOS

IR

Vibrations