Geometry & MOs

Info

ID:	276124
PubChem CID:	103820751
Reduced:	N2O2C9H20 (1)
Stoich.:	A2B2C9D20 (1)
Weight, g/mol:	258.040734
ΔH_f, kcal/mol:	-120.81
Dipole, Da:	3.99
IP(EA), eV:	-9.18(1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[(2S)-1-hydroxypropan-2-yl]-2-nitrobenzamide

Drug info:

PubChemData

Smile

C[C@@H](CO)NC(=O)CNC(C)(C)C

DOS

IR

Vibrations