Geometry & MOs

Info

ID:	294694
PubChem CID:	117483117
Reduced:	BrNO3C12H14 (1)
Stoich.:	ABC3D12E14 (1)
Weight, g/mol:	299.05209
ΔH_f, kcal/mol:	-63.84
Dipole, Da:	5.54
IP(EA), eV:	-9.3(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(5-bromo-2-ethoxy-4-methoxyphenyl)cyclopropyl]methanamine

Drug info:

PubChemData

Smile

COC1=C(C(=C(C=C1C=O)Br)/C=C/CN)OC

DOS

IR

Vibrations