Geometry & MOs

Info

ID:	144488
PubChem CID:	53376437
Reduced:	NO4C22H25 (1)
Stoich.:	AB4C22D25 (1)
Weight, g/mol:	290.151809
ΔH_f, kcal/mol:	-93.52
Dipole, Da:	9.15
IP(EA), eV:	-8.86(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,2R)-2-(2,6-dimethoxyphenyl)-4-methylcyclohex-3-ene-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H]1CC[C@@H]2[C@H]([C@]3([C@]1(C=CC3=O)O)C)OC(=O)C24CN4C5=CC=CC=C5C

DOS

IR

Vibrations