Geometry & MOs

Info

ID:	85029
PubChem CID:	49871407
Reduced:	NO2H6C11 (2)
Stoich.:	AB2C6D11 (2)
Weight, g/mol:	460.09977
ΔH_f, kcal/mol:	28.18
Dipole, Da:	5.4
IP(EA), eV:	-9.2(-1.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[5-bromo-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrol-2-yl]indole-1-carboxylate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=O)C3=C4C=CC=CN4C(=C3C2=O)C5=CC=C(C=C5)[N+](=O)[O-]

DOS

IR

Vibrations