Geometry & MOs

Info

ID:	216828
PubChem CID:	85086843
Reduced:	ClO2N3C15H17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	306.111481
ΔH_f, kcal/mol:	-25.76
Dipole, Da:	8.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.173328
Charge, e:	0

Chem-info

IUPAC name:

methyl 2,4-diacetyloxy-1-fluoro-6-methoxycyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

C1CCN(CC1)C(=O)C[N+]2=CC(=O)C3=CC(C=CC3=N2)Cl

DOS

IR

Vibrations