Geometry & MOs

Info

ID:	283162
PubChem CID:	103961936
Reduced:	Br2N2O2H12C13 (1)
Stoich.:	A2B2C2D12E13 (1)
Weight, g/mol:	306.03678
ΔH_f, kcal/mol:	-17.46
Dipole, Da:	6.62
IP(EA), eV:	-8.48(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-5-bromo-1-(3-phenylpropyl)pyridin-4-one

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)OCCN2C=C(C(=O)C(=C2)Br)N

DOS

IR

Vibrations