Geometry & MOs

Info

ID:	314914
PubChem CID:	126623961
Reduced:	BrClON3C9H13 (1)
Stoich.:	ABCD3E9F13 (1)
Weight, g/mol:	257.01637
ΔH_f, kcal/mol:	-66.93
Dipole, Da:	3.74
IP(EA), eV:	-9.75(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(6-bromopyridin-2-yl)butanamide

Drug info:

PubChemData

Smile

CCC(C(=O)NC1=NC(=CC=C1)Br)N.Cl

DOS

IR

Vibrations