Geometry & MOs

Info

ID:	390714
PubChem CID:	135000525
Reduced:	NO3C18H19 (1)
Stoich.:	AB3C18D19 (1)
Weight, g/mol:	297.190009
ΔH_f, kcal/mol:	-84.06
Dipole, Da:	5.08
IP(EA), eV:	-9.6(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-5-phenyl-2-[(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methyl]pent-2-enenitrile

Drug info:

PubChemData

Smile

C[C@H]1[C@H](OC(=O)N1C[C@H](C2=CC=CC=C2)O)C3=CC=CC=C3

DOS

IR

Vibrations