Geometry & MOs

Info

ID:	272955
PubChem CID:	103768881
Reduced:	NSO2C13H23 (1)
Stoich.:	ABC2D13E23 (1)
Weight, g/mol:	274.168128
ΔH_f, kcal/mol:	-84.0
Dipole, Da:	3.01
IP(EA), eV:	-8.68(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-5-[[1-(oxan-4-yl)ethylamino]methyl]benzonitrile

Drug info:

PubChemData

Smile

CCC(C)(CCO)NCC1=CC=C(O1)CSC

DOS

IR

Vibrations