Geometry & MOs

Info

ID:	380280
PubChem CID:	134970683
Reduced:	ClNO2C8H12 (1)
Stoich.:	ABC2D8E12 (1)
Weight, g/mol:	306.183109
ΔH_f, kcal/mol:	-93.89
Dipole, Da:	4.36
IP(EA), eV:	-10.37(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E,8R)-6-hydroxy-5-methyl-8-phenylmethoxynon-3-enoate

Drug info:

PubChemData

Smile

CC([C@H]1[C@H](OC(=O)N1)CC=C)Cl

DOS

IR

Vibrations