Geometry & MOs

Info

ID:	183845
PubChem CID:	77079604
Reduced:	NOC8H9 (2)
Stoich.:	ABC8D9 (2)
Weight, g/mol:	260.152478
ΔH_f, kcal/mol:	-8.55
Dipole, Da:	4.37
IP(EA), eV:	-9.38(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[2-(2-methoxyethyl)morpholin-4-yl]methyl]benzonitrile

Drug info:

PubChemData

Smile

C1CCCN(CC1)C(=O)C2=C(ON=C2)C3=CC=CC=C3

DOS

IR

Vibrations