Geometry & MOs

Info

ID:	311657
PubChem CID:	126596841
Reduced:	ClO2N4H23C24 (1)
Stoich.:	AB2C4D23E24 (1)
Weight, g/mol:	245.00514
ΔH_f, kcal/mol:	10.05
Dipole, Da:	3.39
IP(EA), eV:	-9.24(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(bromomethyl)-1,2-dihydropyridine-3-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C2=CC=CC=C2N3C=NN=C3C1CC(=O)N4CCOCC4)C5=CC=C(C=C5)Cl

DOS

IR

Vibrations