Geometry & MOs

Info

ID:	392790
PubChem CID:	135017985
Reduced:	O7C21H26 (1)
Stoich.:	A7B21C26 (1)
Weight, g/mol:	300.099774
ΔH_f, kcal/mol:	-277.72
Dipole, Da:	5.15
IP(EA), eV:	-9.52(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 4-(4-methoxyphenyl)benzene-1,2-dicarboxylate

Drug info:

PubChemData

Smile

CCCC1OCC2[C@@H](O1)C(C([C@@H](O2)CC(=O)C3=C(C4=CC=CC=C4C3)O)O)O

DOS

IR

Vibrations