Geometry & MOs

Info

ID:	315640
PubChem CID:	126628295
Reduced:	ON4C26H30 (1)
Stoich.:	AB4C26D30 (1)
Weight, g/mol:	257.041898
ΔH_f, kcal/mol:	79.1
Dipole, Da:	3.08
IP(EA), eV:	-8.77(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-3-[(2,6-difluorophenyl)methoxy]-1,2-dihydropyridine

Drug info:

PubChemData

Smile

CC#CC1=CC(=CN=C1)C2=CC(=C(C=C2)C)[C@@]3(N=C(C(=N3)N)C)C4CCC(CC4)OC

DOS

IR

Vibrations