Geometry & MOs

Info

ID:	149877
PubChem CID:	53789557
Reduced:	NOC17H23 (1)
Stoich.:	ABC17D23 (1)
Weight, g/mol:	373.188923
ΔH_f, kcal/mol:	-32.79
Dipole, Da:	3.2
IP(EA), eV:	-8.62(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[4-(N-ethoxy-C-ethylcarbonimidoyl)-3,5-dioxocyclohexyl]-3,5-dimethylphenyl] acetate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2=NCCC3C2CCCC3

DOS

IR

Vibrations