Geometry & MOs

Info

ID:	284302
PubChem CID:	104041207
Reduced:	BrNO3C13H18 (1)
Stoich.:	ABC3D13E18 (1)
Weight, g/mol:	292.038148
ΔH_f, kcal/mol:	-118.77
Dipole, Da:	4.57
IP(EA), eV:	-9.27(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,6-dichloro-N-(2,3-dimethoxypropyl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)C(=O)NCC(COC)OC)Br

DOS

IR

Vibrations