Geometry & MOs

Info

ID:	258711
PubChem CID:	103156519
Reduced:	NOC4H7 (3)
Stoich.:	ABC4D7 (3)
Weight, g/mol:	331.01677
ΔH_f, kcal/mol:	-138.94
Dipole, Da:	1.05
IP(EA), eV:	-9.33(0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-(3-bromo-4-nitrophenyl)-3-methoxybutanamide

Drug info:

PubChemData

Smile

COC(CC(=O)N1CCN2C(C1)CCC2=O)CN

DOS

IR

Vibrations