Geometry & MOs

Info

ID:	401403
PubChem CID:	135051180
Reduced:	NO4C15H23 (1)
Stoich.:	AB4C15D23 (1)
Weight, g/mol:	277.050571
ΔH_f, kcal/mol:	-204.9
Dipole, Da:	4.54
IP(EA), eV:	-8.43(0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2E,4Z)-5-chloro-2-methyl-4-nitro-1-phenylhepta-2,4,6-trien-1-one

Drug info:

PubChemData

Smile

CCOC(=O)CCC1=C(NC(=C1CC(=O)OCC)C)C

DOS

IR

Vibrations