Geometry & MOs

Info

ID:	267777
PubChem CID:	103589023
Reduced:	BrO3N4C13H13 (1)
Stoich.:	AB3C4D13E13 (1)
Weight, g/mol:	369.97198
ΔH_f, kcal/mol:	32.27
Dipole, Da:	6.14
IP(EA), eV:	-9.53(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(3-bromo-5-nitrophenoxy)-4-chlorophenyl]-N-methylmethanamine

Drug info:

PubChemData

Smile

CCNCC1=CN=C(N=C1)OC2=CC(=CC(=C2)[N+](=O)[O-])Br

DOS

IR

Vibrations