Geometry & MOs

Info

ID:	246046
PubChem CID:	103037384
Reduced:	OSN2C9H16 (1)
Stoich.:	ABC2D9E16 (1)
Weight, g/mol:	276.046569
ΔH_f, kcal/mol:	-36.57
Dipole, Da:	3.05
IP(EA), eV:	-8.82(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-2-[(3-chloro-4-fluorophenyl)methoxy]benzonitrile

Drug info:

PubChemData

Smile

CC(C)(CCC1=CN=C(S1)N)OC

DOS

IR

Vibrations