Geometry & MOs

Info

ID:	125422
PubChem CID:	50923571
Reduced:	NSeO5C19H19 (1)
Stoich.:	ABC5D19E19 (1)
Weight, g/mol:	312.116904
ΔH_f, kcal/mol:	-79.63
Dipole, Da:	5.9
IP(EA), eV:	-7.78(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(E)-3-(3,5-dimethoxyphenyl)prop-2-enoyl]phenyl]boronic acid

Drug info:

PubChemData

Smile

COC1=C/C(=C\2/C(=CN[Se]2)C3=CC(=C(C(=C3)OC)OC)OC)/C=CC1=O

DOS

IR

Vibrations