Geometry & MOs

Info

ID:	399050
PubChem CID:	135037333
Reduced:	N2Cl3O4C9H9 (1)
Stoich.:	A2B3C4D9E9 (1)
Weight, g/mol:	245.141579
ΔH_f, kcal/mol:	-21.64
Dipole, Da:	1.34
IP(EA), eV:	-10.06(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4E)-3-ethyl-N-methoxy-N-methyl-5-phenylpenta-2,4-dienamide

Drug info:

PubChemData

Smile

CC1=CC[C@H]([C@@](C1)([N+](=O)[O-])Cl)C(=C(Cl)Cl)[N+](=O)[O-]

DOS

IR

Vibrations