Geometry & MOs

Info

ID:	267793
PubChem CID:	103589370
Reduced:	BrN2O5C12H15 (1)
Stoich.:	AB2C5D12E15 (1)
Weight, g/mol:	357.03242
ΔH_f, kcal/mol:	-110.2
Dipole, Da:	6.49
IP(EA), eV:	-9.95(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-bromo-5-nitrophenoxy)-2-(cyclopropylamino)butanamide

Drug info:

PubChemData

Smile

CCNC(CCOC1=CC(=CC(=C1)[N+](=O)[O-])Br)C(=O)O

DOS

IR

Vibrations