Geometry & MOs

Info

ID:	396017
PubChem CID:	135027204
Reduced:	N2O4C21H24 (1)
Stoich.:	A2B4C21D24 (1)
Weight, g/mol:	273.136493
ΔH_f, kcal/mol:	-68.1
Dipole, Da:	5.17
IP(EA), eV:	-9.63(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-3-[(4-oxooxan-3-yl)methyl]indol-2-one

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@H]1[C@@H]([C@@H]([C@H](N1)C2=CC=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

DOS

IR

Vibrations