Geometry & MOs

Info

ID:	282587
PubChem CID:	103931938
Reduced:	Br2N3O3H7C12 (1)
Stoich.:	A2B3C3D7E12 (1)
Weight, g/mol:	212.098334
ΔH_f, kcal/mol:	10.8
Dipole, Da:	9.32
IP(EA), eV:	-9.78(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-methyl-2-(1-thiophen-3-ylethylamino)propanamide

Drug info:

PubChemData

Smile

C1=CC(=NC(=C1)Br)C(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])Br

DOS

IR

Vibrations