Geometry & MOs

Info

ID:	302875
PubChem CID:	124397978
Reduced:	ClON2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	454.178024
ΔH_f, kcal/mol:	-35.18
Dipole, Da:	3.26
IP(EA), eV:	-8.65(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl (2S)-2-[3,4-bis(phenylmethoxy)phenyl]-2-hydroxyacetate

Drug info:

PubChemData

Smile

CN1CCC(CC1)[C@H](C2=NC(=CC=C2)Cl)O

DOS

IR

Vibrations