Geometry & MOs

Info

ID:	294665
PubChem CID:	117480112
Reduced:	BrNO2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	297.03644
ΔH_f, kcal/mol:	-34.01
Dipole, Da:	2.76
IP(EA), eV:	-8.96(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-(3-bromo-2-cyclopropyloxy-5-methylphenyl)propan-1-one

Drug info:

PubChemData

Smile

C1COC2=C(C(=C(C=C2)Br)C3(CC3)CN)OC1

DOS

IR

Vibrations