Geometry & MOs

Info

ID:	275566
PubChem CID:	103816622
Reduced:	BrN3O4C14H18 (1)
Stoich.:	AB3C4D14E18 (1)
Weight, g/mol:	329.0375
ΔH_f, kcal/mol:	-77.48
Dipole, Da:	4.05
IP(EA), eV:	-9.34(-1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(2-bromo-5-nitrophenyl)hexanamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC(C1)NC2=C(C=CC(=C2)[N+](=O)[O-])Br

DOS

IR

Vibrations