Geometry & MOs

Info

ID:	402104
PubChem CID:	135054373
Reduced:	NO4C20H23 (1)
Stoich.:	AB4C20D23 (1)
Weight, g/mol:	305.04153
ΔH_f, kcal/mol:	-131.14
Dipole, Da:	2.1
IP(EA), eV:	-9.1(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E,7S)-8-(4-bromophenyl)-7-methyl-8-oxooct-5-enenitrile

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1[C@H](C[C@H](C=C1C2=CC=CO2)C3=CC=CC=C3)O

DOS

IR

Vibrations