Geometry & MOs

Info

ID:	410939
PubChem CID:	135083742
Reduced:	O2N3H9C10 (1)
Stoich.:	A2B3C9D10 (1)
Weight, g/mol:	232.109944
ΔH_f, kcal/mol:	46.32
Dipole, Da:	5.75
IP(EA), eV:	-10.02(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (E)-2-oxo-4-phenylbut-3-enoate

Drug info:

PubChemData

Smile

CC1=CC2=NC(=C(N=C2C=C1)[N+](=O)[O-])C

DOS

IR

Vibrations