Geometry & MOs

Info

ID:	413891
PubChem CID:	135086842
Reduced:	ClO3C15H17 (1)
Stoich.:	AB3C15D17 (1)
Weight, g/mol:	475.97693
ΔH_f, kcal/mol:	-113.87
Dipole, Da:	3.67
IP(EA), eV:	-10.01(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-O-tert-butyl 3-O-methyl (3aR,8bR)-7,8b-dibromo-2,3a-dihydro-1H-pyrrolo[2,3-b]indole-3,4-dicarboxylate

Drug info:

PubChemData

Smile

CCOC(=O)/C=C/CCCC(=O)C1=CC=C(C=C1)Cl

DOS

IR

Vibrations