Geometry & MOs

Info

ID:	388098
PubChem CID:	134988165
Reduced:	NOC11H19 (1)
Stoich.:	ABC11D19 (1)
Weight, g/mol:	265.01023
ΔH_f, kcal/mol:	-63.4
Dipole, Da:	1.2
IP(EA), eV:	-9.74(1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-5-(2-bromo-5-methoxyphenyl)pent-4-enenitrile

Drug info:

PubChemData

Smile

C[C@H]1CCC[C@@H]1C2=NC(CO2)(C)C

DOS

IR

Vibrations