Geometry & MOs

Info

ID:	371991
PubChem CID:	131284535
Reduced:	NC3H5 (3)
Stoich.:	AB3C5 (3)
Weight, g/mol:	223.076392
ΔH_f, kcal/mol:	40.24
Dipole, Da:	4.51
IP(EA), eV:	-8.99(0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-2-hydroxy-5-propan-2-ylphenyl)propanenitrile

Drug info:

PubChemData

Smile

CN1CCC2(CC1)CC2(C#N)N

DOS

IR

Vibrations