Geometry & MOs

Info

ID:	407012
PubChem CID:	135079129
Reduced:	BrSiO3C29H39 (1)
Stoich.:	ABC3D29E39 (1)
Weight, g/mol:	307.105587
ΔH_f, kcal/mol:	-141.96
Dipole, Da:	3.48
IP(EA), eV:	-9.0(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (Z)-2-[4-(2-methyl-1,3-dioxolan-2-yl)phenyl]-3-nitroprop-2-enoate

Drug info:

PubChemData

Smile

CCOC(=O)/C(=C/CCC(=CC)CCCO[Si](C1=CC=CC=C1)(C2=CC=CC=C2)C(C)(C)C)/Br

DOS

IR

Vibrations