Geometry & MOs

Info

ID:	282076
PubChem CID:	103915273
Reduced:	BrNO3C16H18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	289.046548
ΔH_f, kcal/mol:	-72.34
Dipole, Da:	1.77
IP(EA), eV:	-9.46(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N,N-bis(2-hydroxyethyl)-5-nitropyridine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=CC=C1Br)NC(C)C2=CC=C(O2)C(=O)OC

DOS

IR

Vibrations