Geometry & MOs

Info

ID:	294845
PubChem CID:	117499295
Reduced:	BrNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	313.06774
ΔH_f, kcal/mol:	-87.1
Dipole, Da:	4.34
IP(EA), eV:	-9.38(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-bromo-5-ethoxy-4-methoxyphenyl)cyclopropyl]ethanamine

Drug info:

PubChemData

Smile

C1CC1COC2=C(C=CC=C2Br)C(CC(=O)O)N

DOS

IR

Vibrations