Geometry & MOs

Info

ID:	314545
PubChem CID:	126622100
Reduced:	FN4O5H17C18 (1)
Stoich.:	AB4C5D17E18 (1)
Weight, g/mol:	219.019939
ΔH_f, kcal/mol:	-97.13
Dipole, Da:	8.05
IP(EA), eV:	-9.33(-2.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-methoxy-1,6-naphthyridine-2-carbonitrile

Drug info:

PubChemData

Smile

CC[C@H]1[C@H](NC(=O)[C@H]1F)COC2=NC=C(C3=C2C=C(C(=C3)C#N)OC)[N+](=O)[O-]

DOS

IR

Vibrations