Geometry & MOs

Info

ID:	159181
PubChem CID:	57264331
Reduced:	NOC8H17 (1)
Stoich.:	ABC8D17 (1)
Weight, g/mol:	403.199488
ΔH_f, kcal/mol:	-26.82
Dipole, Da:	0.92
IP(EA), eV:	-9.15(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylhexyl 4-[(2,2-dimethyl-4,6-dioxo-1,3-dioxan-5-yl)methylideneamino]benzoate

Drug info:

PubChemData

Smile

CCC(C)(C)CONC=C

DOS

IR

Vibrations