Geometry & MOs

Info

ID:	169848
PubChem CID:	75156978
Reduced:	N3O4H13C16 (1)
Stoich.:	A3B4C13D16 (1)
Weight, g/mol:	404.173607
ΔH_f, kcal/mol:	-89.25
Dipole, Da:	5.48
IP(EA), eV:	-9.41(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[methyl-(3-methylphenyl)carbamoyl]phenyl]-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[N+]2=C3C(=[N+](C(=O)C2=O)CC(=O)O)C=CC=N3

DOS

IR

Vibrations