Geometry & MOs

Info

ID:	395334
PubChem CID:	135025209
Reduced:	NO3C31H35 (1)
Stoich.:	AB3C31D35 (1)
Weight, g/mol:	344.198759
ΔH_f, kcal/mol:	-56.37
Dipole, Da:	1.61
IP(EA), eV:	-8.37(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2Z,3R,6S)-2-(2-ethoxy-2-oxoethylidene)-3-methyl-6-propan-2-ylcyclohexyl] benzoate

Drug info:

PubChemData

Smile

CC(C)(CC1C2=CC=CC=C2N(C1=O)C3=C(C=C(C=C3)OCC4=CC=CC=C4)C(C)(C)OC)C=C

DOS

IR

Vibrations