Geometry & MOs

Info

ID:	381722
PubChem CID:	134972535
Reduced:	NO3C20H25 (1)
Stoich.:	AB3C20D25 (1)
Weight, g/mol:	266.115424
ΔH_f, kcal/mol:	-88.71
Dipole, Da:	1.1
IP(EA), eV:	-9.2(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (Z,5R,6R,7R)-5,6,7-trihydroxy-7-phenylhept-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)C(CNCC1=CC=CC=C1)C(C2=CC=CC=C2)OC

DOS

IR

Vibrations