Geometry & MOs

Info

ID:	220519
PubChem CID:	85197645
Reduced:	NO8C13H25 (1)
Stoich.:	AB8C13D25 (1)
Weight, g/mol:	323.115758
ΔH_f, kcal/mol:	-389.6
Dipole, Da:	4.14
IP(EA), eV:	-10.2(0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-nitrophenyl)hexa-2,4-dienyl benzoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCOC1C(C(C(C(O1)CO)O)O)O

DOS

IR

Vibrations