Geometry & MOs

Info

ID:	10133
PubChem CID:	97975
Reduced:	NOC14H19 (1)
Stoich.:	ABC14D19 (1)
Weight, g/mol:	217.146664
ΔH_f, kcal/mol:	-24.54
Dipole, Da:	4.08
IP(EA), eV:	-9.25(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methylphenyl)-4-propan-2-yloxybutanenitrile

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(CCC#N)OC(C)C

DOS

IR

Vibrations