Geometry & MOs

Info

ID:	198622
PubChem CID:	79127169
Reduced:	NO2C17H23 (1)
Stoich.:	AB2C17D23 (1)
Weight, g/mol:	261.136493
ΔH_f, kcal/mol:	-61.04
Dipole, Da:	5.25
IP(EA), eV:	-9.71(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[hydroxy-[4-(methoxymethyl)phenyl]methyl]oxane-4-carbonitrile

Drug info:

PubChemData

Smile

CC1CCCC(C1)(C#N)C(C2=CC=CC=C2COC)O

DOS

IR

Vibrations