Geometry & MOs

Info

ID:	226882
PubChem CID:	87558778
Reduced:	SiO2C20H29 (1)
Stoich.:	AB2C20D29 (1)
Weight, g/mol:	251.98983
ΔH_f, kcal/mol:	-37.45
Dipole, Da:	2.21
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.897506
Charge, e:	0

Chem-info

IUPAC name:

4-(3-bromo-2H-imidazol-1-yl)benzaldehyde

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC(=C(C(=C1OC)CC2=CCC=C2)[Si](C)C)OC

DOS

IR

Vibrations