Geometry & MOs

Info

ID:	397375
PubChem CID:	135030127
Reduced:	N3O3H9C10 (1)
Stoich.:	A3B3C9D10 (1)
Weight, g/mol:	455.209658
ΔH_f, kcal/mol:	2.18
Dipole, Da:	7.85
IP(EA), eV:	-9.42(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (3R)-2-oxo-3-(3-oxobutyl)-3-(4-phenylphenyl)indole-1-carboxylate

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=O)N=C1C[N+](=O)[O-]

DOS

IR

Vibrations