Geometry & MOs

Info

ID:	402424
PubChem CID:	135055914
Reduced:	OC8H8 (2)
Stoich.:	AB8C8 (2)
Weight, g/mol:	331.214744
ΔH_f, kcal/mol:	-50.3
Dipole, Da:	2.71
IP(EA), eV:	-9.26(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E,5S)-5-cyclohexyl-5-(4-methoxyanilino)pent-2-enoate

Drug info:

PubChemData

Smile

C[C@]1(C2=CC=CC=C2CC1(C3=CC=CC=C3)O)O

DOS

IR

Vibrations