Geometry & MOs

Info

ID:	43251
PubChem CID:	10320206
Reduced:	NO3H27C28 (1)
Stoich.:	AB3C27D28 (1)
Weight, g/mol:	425.238621
ΔH_f, kcal/mol:	-48.98
Dipole, Da:	0.65
IP(EA), eV:	-8.76(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(Z)-7-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]phenyl]-7-pyridin-3-ylhept-6-enoic acid

Drug info:

PubChemData

Smile

CCOC(=O)CCC1=CC=CC(=C1)CCC2=NC(=C(O2)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations