Geometry & MOs

Info

ID:	404246
PubChem CID:	135065524
Reduced:	NO2C20H25 (1)
Stoich.:	AB2C20D25 (1)
Weight, g/mol:	396.06847
ΔH_f, kcal/mol:	-70.1
Dipole, Da:	1.98
IP(EA), eV:	-9.17(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-O-tert-butyl 3-O-methyl (3aR,8bS)-7-bromo-1,2,3a,8b-tetrahydropyrrolo[2,3-b]indole-3,4-dicarboxylate

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(C2=CC=CC=C2)NCC(=O)OC(C)(C)C

DOS

IR

Vibrations