Geometry & MOs

Info

ID:	248684
PubChem CID:	103083601
Reduced:	BrCl2N2H15C16 (1)
Stoich.:	AB2C2D15E16 (1)
Weight, g/mol:	290.00548
ΔH_f, kcal/mol:	33.09
Dipole, Da:	3.42
IP(EA), eV:	-9.6(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-aminopyridin-3-yl)-(4-bromo-2-methylphenyl)methanone

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)Br)C2=NC(=C(C(=N2)Cl)C3CCCC3)Cl

DOS

IR

Vibrations