Geometry & MOs

Info

ID:	386591
PubChem CID:	134982255
Reduced:	N3O5C31H43 (1)
Stoich.:	A3B5C31D43 (1)
Weight, g/mol:	304.0688
ΔH_f, kcal/mol:	-214.12
Dipole, Da:	7.11
IP(EA), eV:	-9.27(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3S)-2-[(1E,3Z)-4-iodobuta-1,3-dienyl]-1,1,3-trimethylcyclohexane

Drug info:

PubChemData

Smile

CC(C)[C@H]1C(=O)N[C@H](C(=O)N2CCC[C@H](C2)C(=O)OCC/C=C/C=C\CCCCC(=O)N1)CC3=CC=CC=C3

DOS

IR

Vibrations