Geometry & MOs

Info

ID:	272693
PubChem CID:	103751836
Reduced:	BrN2O2C12H15 (1)
Stoich.:	AB2C2D12E15 (1)
Weight, g/mol:	305.01637
ΔH_f, kcal/mol:	-83.85
Dipole, Da:	2.68
IP(EA), eV:	-9.86(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC(CCC1NC(=O)C2=C(N=CC=C2)Br)O

DOS

IR

Vibrations