Geometry & MOs

Info

ID:	271446
PubChem CID:	103679341
Reduced:	ClN2O2C13H13 (1)
Stoich.:	AB2C2D13E13 (1)
Weight, g/mol:	231.041069
ΔH_f, kcal/mol:	-68.83
Dipole, Da:	2.12
IP(EA), eV:	-9.24(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3-chloro-5-nitropyridin-2-yl)amino]propan-1-ol

Drug info:

PubChemData

Smile

C=C(CNC(=O)C1=CC2=C(C=C1)NC(=O)CC2)Cl

DOS

IR

Vibrations