Geometry & MOs

Info

ID:	387595
PubChem CID:	134986050
Reduced:	ON2C10H15 (1)
Stoich.:	AB2C10D15 (1)
Weight, g/mol:	227.026679
ΔH_f, kcal/mol:	17.15
Dipole, Da:	5.69
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.956028
Charge, e:	0

Chem-info

IUPAC name:

3-[chloro(phenyl)phosphoryl]-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CC(C)[C@@H]1[C@H]2CC[C@@H]1C(=C2[N+]#N)O

DOS

IR

Vibrations