Geometry & MOs

Info

ID:	221928
PubChem CID:	85292813
Reduced:	SiO3C24H30 (1)
Stoich.:	AB3C24D30 (1)
Weight, g/mol:	396.132136
ΔH_f, kcal/mol:	-130.96
Dipole, Da:	4.1
IP(EA), eV:	-9.13(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

butyl 4-(4-nitrophenyl)-2-[(4-nitrophenyl)methylidene]but-3-enoate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C1=CC=CC=C1)(C2=CC=CC=C2)OCC3CC(C(=O)O3)CC=C

DOS

IR

Vibrations