Geometry & MOs

Info

ID:	46756
PubChem CID:	10527033
Reduced:	BrSiO3C21H31 (1)
Stoich.:	ABC3D21E31 (1)
Weight, g/mol:	440.133199
ΔH_f, kcal/mol:	-163.05
Dipole, Da:	3.74
IP(EA), eV:	-8.52(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl 4-[3-[(4-cyano-5-oxido-1,2,5-oxadiazol-5-ium-3-yl)methoxy]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Drug info:

PubChemData

Smile

CC1(C=CC(=O)C1CC2=CC(=C(C=C2O[Si](C)(C)C(C)(C)C)Br)OC)C

DOS

IR

Vibrations