Geometry & MOs

Info

ID:	381062
PubChem CID:	134971691
Reduced:	FOSiN5C16H22 (1)
Stoich.:	ABCD5E16F22 (1)
Weight, g/mol:	326.209324
ΔH_f, kcal/mol:	-23.81
Dipole, Da:	3.46
IP(EA), eV:	-8.72(-1.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

diethyl (4R,6S)-4-[(1R)-1-hydroxy-2-methylpropyl]-4,6-dimethylcyclohex-2-ene-1,1-dicarboxylate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCC1=CN(C=N1)C2=C(C=C(C=C2)N=[N+]=[N-])F

DOS

IR

Vibrations