Geometry & MOs

Info

ID:	288132
PubChem CID:	104311811
Reduced:	BrNOH14C15 (1)
Stoich.:	ABCD14E15 (1)
Weight, g/mol:	305.00514
ΔH_f, kcal/mol:	7.09
Dipole, Da:	3.79
IP(EA), eV:	-9.17(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-bromopyridin-2-yl)-2-(3-methoxyphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)CC(=O)C2=C(C=CC=N2)Br

DOS

IR

Vibrations