Geometry & MOs

Info

ID:	38542
PubChem CID:	8137025
Reduced:	NO4C9H9 (2)
Stoich.:	AB4C9D9 (2)
Weight, g/mol:	359.98763
ΔH_f, kcal/mol:	-245.84
Dipole, Da:	3.24
IP(EA), eV:	-9.23(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[2-(2-bromo-4-chlorophenoxy)acetyl]amino]-N-cyclopropylacetamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(OC(=C1C(=O)C)C)NC(=O)COC(=O)C2=CC=[N+](C=C2)[O-]

DOS

IR

Vibrations