Geometry & MOs

Info

ID:	44593
PubChem CID:	10504270
Reduced:	SiO6C25H38 (1)
Stoich.:	AB6C25D38 (1)
Weight, g/mol:	462.361014
ΔH_f, kcal/mol:	-314.28
Dipole, Da:	7.25
IP(EA), eV:	-8.76(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-octoxy-5-[4-(3-octyl-1-bicyclo[1.1.1]pentanyl)phenyl]pyrimidine

Drug info:

PubChemData

Smile

CC1=C2CCOC(=O)C2=C(C(=C1OC)C/C=C(\C)/CCC(=O)OC)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations