Geometry & MOs

Info

ID:	402174
PubChem CID:	135054716
Reduced:	O5C18H20 (1)
Stoich.:	A5B18C20 (1)
Weight, g/mol:	392.201901
ΔH_f, kcal/mol:	-170.67
Dipole, Da:	2.77
IP(EA), eV:	-8.98(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (Z)-2-[2-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]hex-3-enedioate

Drug info:

PubChemData

Smile

CC1(C(OC(=O)C(O1)C2=CC3=CC=CC=C3C=C2)(C)OC)OC

DOS

IR

Vibrations