Geometry & MOs

Info

ID:	438279
PubChem CID:	135228010
Reduced:	BrNO2C8H10 (1)
Stoich.:	ABC2D8E10 (1)
Weight, g/mol:	403.08954
ΔH_f, kcal/mol:	-58.03
Dipole, Da:	1.74
IP(EA), eV:	-8.59(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[6-bromo-4-[[oxan-4-yl(phenyl)methyl]amino]pyridin-3-yl]acetamide

Drug info:

PubChemData

Smile

CCOC1=CC(=CN(C1=O)C)Br

DOS

IR

Vibrations