Geometry & MOs

Info

ID:	168561
PubChem CID:	74989456
Reduced:	ON4C13H16 (1)
Stoich.:	AB4C13D16 (1)
Weight, g/mol:	307.03202
ΔH_f, kcal/mol:	13.48
Dipole, Da:	6.65
IP(EA), eV:	-8.41(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-(4-bromophenyl)-4-(1H-imidazol-5-yl)butan-2-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(=O)C(CC2=CN=CN2)N)N

DOS

IR

Vibrations