Geometry & MOs

Info

ID:	21584
PubChem CID:	589062
Reduced:	N3O4C25H27 (1)
Stoich.:	A3B4C25D27 (1)
Weight, g/mol:	433.200156
ΔH_f, kcal/mol:	-56.11
Dipole, Da:	3.09
IP(EA), eV:	-8.54(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[4-(1H-indol-3-yl)-2-nitrobutyl]indole-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C2=CC=CC=C2C=C1CC(CCC3=CNC4=CC=CC=C43)[N+](=O)[O-]

DOS

IR

Vibrations