Geometry & MOs

Info

ID:	340979
PubChem CID:	127263414
Reduced:	NO2C12H15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	203.094629
ΔH_f, kcal/mol:	-47.24
Dipole, Da:	4.06
IP(EA), eV:	-9.74(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-formylphenyl)-4-methoxybutanenitrile

Drug info:

PubChemData

Smile

COC(CCC#N)C1=CC=CC(=C1)CO

DOS

IR

Vibrations