Geometry & MOs

Info

ID:	285158
PubChem CID:	104098410
Reduced:	ClSO2N3C13H14 (1)
Stoich.:	ABC2D3E13F14 (1)
Weight, g/mol:	286.03169
ΔH_f, kcal/mol:	41.5
Dipole, Da:	4.89
IP(EA), eV:	-8.47(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-bromopyridin-4-yl)-4-methoxypentanamide

Drug info:

PubChemData

Smile

CN(C)C1=C(C=C(C=C1)NCC2=CC=C(S2)[N+](=O)[O-])Cl

DOS

IR

Vibrations