Geometry & MOs

Info

ID:	45457
PubChem CID:	10513697
Reduced:	NO2C14H17 (1)
Stoich.:	AB2C14D17 (1)
Weight, g/mol:	231.125929
ΔH_f, kcal/mol:	-60.57
Dipole, Da:	3.6
IP(EA), eV:	-8.97(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-hydroxy-7-phenylmethoxyhept-2-enenitrile

Drug info:

PubChemData

Smile

C[C@H](C=C)[C@@H]1[C@@H](C2=CC=CC=C2N1C(=O)C)O

DOS

IR

Vibrations