Geometry & MOs

Info

ID:	397169
PubChem CID:	135029829
Reduced:	NOC8H9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	496.128881
ΔH_f, kcal/mol:	-36.58
Dipole, Da:	0.42
IP(EA), eV:	-9.33(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-acetyloxy-2-[3-chloro-2-methoxy-6-(2-oxopropyl)-5-phenylmethoxyphenyl]phenyl] acetate

Drug info:

PubChemData

Smile

CC1=CC(=NC=C1)C2=NC(=CC(=C2)C)[C@@H]3COCCO3

DOS

IR

Vibrations