Geometry & MOs

Info

ID:	274160
PubChem CID:	103807428
Reduced:	OSBr2N2C14H18 (1)
Stoich.:	ABC2D2E14F18 (1)
Weight, g/mol:	257.116427
ΔH_f, kcal/mol:	16.19
Dipole, Da:	5.06
IP(EA), eV:	-9.13(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(1-aminoethyl)phenyl]-2-oxo-1H-pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1CC1CNC2CCN(CC2)C(=O)C3=C(SC(=C3)Br)Br

DOS

IR

Vibrations