Geometry & MOs

Info

ID:	247076
PubChem CID:	103067320
Reduced:	BrFNOC12H15 (1)
Stoich.:	ABCDE12F15 (1)
Weight, g/mol:	342.05791
ΔH_f, kcal/mol:	-50.45
Dipole, Da:	2.52
IP(EA), eV:	-9.12(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCNCC(=C)COC1=CC(=C(C=C1)Br)F

DOS

IR

Vibrations