Geometry & MOs

Info

ID:	409515
PubChem CID:	135082297
Reduced:	NO3H13C17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	243.074287
ΔH_f, kcal/mol:	-36.5
Dipole, Da:	5.31
IP(EA), eV:	-9.66(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)[C@H]2[C@@H](OC(=O)N2C=C=O)C3=CC=CC=C3

DOS

IR

Vibrations