Geometry & MOs

Info

ID:	410034
PubChem CID:	135082823
Reduced:	O2N3C8H8 (1)
Stoich.:	A2B3C8D8 (1)
Weight, g/mol:	255.08262
ΔH_f, kcal/mol:	-2.66
Dipole, Da:	6.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.882778
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chloro-2-fluorophenyl)-4-ethoxy-3,6-dihydro-2H-pyridine

Drug info:

PubChemData

Smile

CNC(=O)C1=CC(=C(C=C1)O)[N+]#N

DOS

IR

Vibrations