Geometry & MOs

Info

ID:	18071
PubChem CID:	536583
Reduced:	NPC13H18 (1)
Stoich.:	ABC13D18 (1)
Weight, g/mol:	219.117687
ΔH_f, kcal/mol:	15.8
Dipole, Da:	4.57
IP(EA), eV:	-8.83(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-di(propan-2-yl)phosphanylbenzonitrile

Drug info:

PubChemData

Smile

CC(C)P(C1=CC=C(C=C1)C#N)C(C)C

DOS

IR

Vibrations