Geometry & MOs

Info

ID:	438722
PubChem CID:	135228474
Reduced:	O3C10H12 (2)
Stoich.:	A3B10C12 (2)
Weight, g/mol:	540.251189
ΔH_f, kcal/mol:	-222.53
Dipole, Da:	4.16
IP(EA), eV:	-8.52(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(3-methoxy-4-phenylmethoxyphenyl)-2-[(3-methoxy-4-phenylmethoxyphenyl)methyl]butanoate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CCC(CC2=CC(=C(C=C2)O)OC)C(=O)OC)O

DOS

IR

Vibrations