Geometry & MOs

Info

ID:	37008
PubChem CID:	8016067
Reduced:	N2O4C25H28 (1)
Stoich.:	A2B4C25D28 (1)
Weight, g/mol:	276.171202
ΔH_f, kcal/mol:	-124.48
Dipole, Da:	6.18
IP(EA), eV:	-8.99(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[4-oxo-4-[(1R,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]butyl]azanium

Drug info:

PubChemData

Smile

CC1=C(C(=O)OC2=C1C=CC(=C2C)OCC=C(C)C)CCC(=O)NCC3=CC=NC=C3

DOS

IR

Vibrations