Geometry & MOs

Info

ID:	395541
PubChem CID:	135025751
Reduced:	NOC7H7 (3)
Stoich.:	ABC7D7 (3)
Weight, g/mol:	378.20024
ΔH_f, kcal/mol:	-71.2
Dipole, Da:	3.99
IP(EA), eV:	-8.69(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-5-[2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)phenyl]-3-phenylpent-2-enoate

Drug info:

PubChemData

Smile

CN1[C@H](C(=O)N[C@H](C1=O)CC2=CNC3=CC=CC=C32)CC4=CC=C(C=C4)O

DOS

IR

Vibrations