Geometry & MOs

Info

ID:	170468
PubChem CID:	75237253
Reduced:	SiO2N3C12H27 (1)
Stoich.:	AB2C3D12E27 (1)
Weight, g/mol:	307.120843
ΔH_f, kcal/mol:	-108.11
Dipole, Da:	2.01
IP(EA), eV:	-8.97(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-(3-cyanophenyl)-2-[hydroxy(phenyl)methyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCC(CCCCN=[N+]=[N-])O

DOS

IR

Vibrations