Geometry & MOs

Info

ID:	379972
PubChem CID:	134964414
Reduced:	NO3C13H13 (1)
Stoich.:	AB3C13D13 (1)
Weight, g/mol:	262.138906
ΔH_f, kcal/mol:	-95.43
Dipole, Da:	2.18
IP(EA), eV:	-9.39(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C[C@H](C=O)[C@@H]1CC(=O)N(C1=O)C2=CC=CC=C2

DOS

IR

Vibrations