Geometry & MOs

Info

ID:	396439
PubChem CID:	135028418
Reduced:	NSiO6C33H47 (1)
Stoich.:	ABC6D33E47 (1)
Weight, g/mol:	326.151809
ΔH_f, kcal/mol:	-265.62
Dipole, Da:	2.2
IP(EA), eV:	-8.85(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(4-ethoxycarbonylphenyl)benzoate

Drug info:

PubChemData

Smile

CC1(OCC(O1)[C@@H]2[C@H]3C(C(N2)CC(C(=C)CO[Si](C4=CC=CC=C4)(C5=CC=CC=C5)C(C)(C)C)O)OC(O3)(C)C)C

DOS

IR

Vibrations