Geometry & MOs

Info

ID:	292375
PubChem CID:	114917847
Reduced:	SN5C15H19 (1)
Stoich.:	AB5C15D19 (1)
Weight, g/mol:	324.043233
ΔH_f, kcal/mol:	98.49
Dipole, Da:	6.81
IP(EA), eV:	-9.37(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dichloro-N-[(3-ethoxyphenyl)methyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NN=C2N1N=C(S2)C(CCC3=CC=CC=C3)N

DOS

IR

Vibrations