Geometry & MOs

Info

ID:	292359
PubChem CID:	114917454
Reduced:	N2C8H9 (2)
Stoich.:	A2B8C9 (2)
Weight, g/mol:	317.069782
ΔH_f, kcal/mol:	71.92
Dipole, Da:	5.47
IP(EA), eV:	-9.22(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,5-dichloro-N-[3-(diethylamino)-3-oxopropyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C=NC=C2)N=C1C(CCC3=CC=CC=C3)N

DOS

IR

Vibrations