Geometry & MOs

Info

ID:	302880
PubChem CID:	124398002
Reduced:	NOC14H23 (1)
Stoich.:	ABC14D23 (1)
Weight, g/mol:	339.957311
ΔH_f, kcal/mol:	-48.56
Dipole, Da:	0.48
IP(EA), eV:	-9.01(0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-chlorophenyl)-2-(2,6-dichloro-4-nitrophenyl)acetonitrile

Drug info:

PubChemData

Smile

CCC1=C(C(=CC=C1)CC)N[C@@H](C)COC

DOS

IR

Vibrations