Geometry & MOs

Info

ID:	270491
PubChem CID:	103636846
Reduced:	N2O3C13H20 (1)
Stoich.:	A2B3C13D20 (1)
Weight, g/mol:	236.132491
ΔH_f, kcal/mol:	-52.32
Dipole, Da:	8.28
IP(EA), eV:	-8.59(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-fluoro-4-(5-methoxypentylamino)benzonitrile

Drug info:

PubChemData

Smile

CCCC(CC)NC1=C(C=C(C=C1)[N+](=O)[O-])OC

DOS

IR

Vibrations