Geometry & MOs

Info

ID:	255718
PubChem CID:	103134241
Reduced:	NOH15C18 (1)
Stoich.:	ABC15D18 (1)
Weight, g/mol:	217.110279
ΔH_f, kcal/mol:	27.23
Dipole, Da:	4.74
IP(EA), eV:	-9.4(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-methyloxolan-2-yl)methoxy]benzonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC(=O)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations