Geometry & MOs

Info

ID:	288127
PubChem CID:	104311787
Reduced:	BrN2O2H11C13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	289.01023
ΔH_f, kcal/mol:	0.27
Dipole, Da:	6.61
IP(EA), eV:	-9.4(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromopyridin-2-yl)-(3,5-dimethylphenyl)methanone

Drug info:

PubChemData

Smile

CCOC1=CN=CC(=C1)C(=O)C2=C(C=CC=N2)Br

DOS

IR

Vibrations