Geometry & MOs

Info

ID:	35488
PubChem CID:	7979938
Reduced:	O3N4H18C20 (1)
Stoich.:	A3B4C18D20 (1)
Weight, g/mol:	378.061864
ΔH_f, kcal/mol:	-10.79
Dipole, Da:	3.12
IP(EA), eV:	-9.13(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chloro-2-nitrophenoxy)propanamide

Drug info:

PubChemData

Smile

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)/C=C/C3=CC=CC=C3

DOS

IR

Vibrations