Geometry & MOs

Info

ID:	247077
PubChem CID:	103067323
Reduced:	BrN2O3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	356.07356
ΔH_f, kcal/mol:	-22.61
Dipole, Da:	4.45
IP(EA), eV:	-8.98(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-bromo-2-methyl-6-nitrophenoxy)methyl]-N-tert-butylprop-2-en-1-amine

Drug info:

PubChemData

Smile

CC(C)(C)NCC(=C)COC1=C(C=C(C=C1)Br)[N+](=O)[O-]

DOS

IR

Vibrations