Geometry & MOs

Info

ID:	409741
PubChem CID:	135082526
Reduced:	N2O2H3C7 (2)
Stoich.:	A2B2C3D7 (2)
Weight, g/mol:	251.107692
ΔH_f, kcal/mol:	27.83
Dipole, Da:	4.04
IP(EA), eV:	-7.74(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=C2C(=C1[N+]#N)C(=O)C3=C(C=CC(=C3C2=O)[N+]#N)O)O

DOS

IR

Vibrations