Geometry & MOs

Info

ID:	196718
PubChem CID:	78868946
Reduced:	N3O5C18H21 (1)
Stoich.:	A3B5C18D21 (1)
Weight, g/mol:	356.049461
ΔH_f, kcal/mol:	-86.18
Dipole, Da:	7.8
IP(EA), eV:	-9.02(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dichloro-N-[3-(4-fluorophenoxy)propyl]-N-methylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)NCC(C2=CC=CO2)O)C3=CC=CC=C3[N+](=O)[O-]

DOS

IR

Vibrations