Geometry & MOs

Info

ID:	29797
PubChem CID:	837388
Reduced:	N3O5C13H13 (1)
Stoich.:	A3B5C13D13 (1)
Weight, g/mol:	270.136828
ΔH_f, kcal/mol:	-113.9
Dipole, Da:	7.51
IP(EA), eV:	-9.8(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-(4-methylphenoxy)-N-(4-methylpyridin-2-yl)propanamide

Drug info:

PubChemData

Smile

CC1=C([C@H](NC(=O)N1)C2=C(C=CC(=C2)[N+](=O)[O-])O)C(=O)C

DOS

IR

Vibrations