Geometry & MOs

Info

ID:	303626
PubChem CID:	124489974
Reduced:	NO2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	253.110279
ΔH_f, kcal/mol:	-6.29
Dipole, Da:	5.18
IP(EA), eV:	-9.17(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-hydroxy-3-(4-methoxyphenyl)-3-phenylpropanenitrile

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)[C@@](CC#N)(C2=CC=CC=C2)O

DOS

IR

Vibrations