Geometry & MOs

Info

ID:	28357
PubChem CID:	827183
Reduced:	NO3C11H11 (1)
Stoich.:	AB3C11D11 (1)
Weight, g/mol:	330.095748
ΔH_f, kcal/mol:	-38.68
Dipole, Da:	3.13
IP(EA), eV:	-8.85(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[2-(4-chlorophenyl)sulfanylphenyl]-4-(dimethylamino)butanenitrile

Drug info:

PubChemData

Smile

CC1=NOC(=C1)COC2=CC=CC=C2O

DOS

IR

Vibrations