Geometry & MOs

Info

ID:	219257
PubChem CID:	85096733
Reduced:	N3O4C28H33 (1)
Stoich.:	A3B4C28D33 (1)
Weight, g/mol:	476.219889
ΔH_f, kcal/mol:	-106.86
Dipole, Da:	6.24
IP(EA), eV:	-8.67(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 5-hydroxy-3-oxo-7,8-bis(phenylmethoxy)octanoate

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)C2=NC=C(C(=N2)N(C)CCCOC3=CC4=C(C=C3)C(CC4)CC(=O)O)C

DOS

IR

Vibrations