Geometry & MOs

Info

ID:	295945
PubChem CID:	117548272
Reduced:	NOCl2H7C10 (1)
Stoich.:	ABC2D7E10 (1)
Weight, g/mol:	233.105193
ΔH_f, kcal/mol:	17.47
Dipole, Da:	1.8
IP(EA), eV:	-9.89(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(3,4-dimethoxyphenyl)oxetan-3-yl]acetonitrile

Drug info:

PubChemData

Smile

C1C(CO1)(C#N)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations