Geometry & MOs

Info

ID:	247078
PubChem CID:	103067347
Reduced:	BrN2O3C15H21 (1)
Stoich.:	AB2C3D15E21 (1)
Weight, g/mol:	342.05791
ΔH_f, kcal/mol:	-24.54
Dipole, Da:	6.79
IP(EA), eV:	-9.2(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-2-methyl-6-nitrophenoxy)methyl]-N-propan-2-ylprop-2-en-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OCC(=C)CNC(C)(C)C)[N+](=O)[O-])Br

DOS

IR

Vibrations