Geometry & MOs

Info

ID:	290294
PubChem CID:	104426471
Reduced:	BrN2O2F3C13H16 (1)
Stoich.:	AB2C2D3E13F16 (1)
Weight, g/mol:	282.132805
ΔH_f, kcal/mol:	-237.39
Dipole, Da:	8.21
IP(EA), eV:	-9.0(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methoxyethyl)-3-[(5-methyl-4-nitropyridin-2-yl)amino]propanamide

Drug info:

PubChemData

Smile

COCCNC(=O)CCNC1=C(C=C(C=C1)C(F)(F)F)Br

DOS

IR

Vibrations