Geometry & MOs

Info

ID:	84690
PubChem CID:	49869314
Reduced:	BrON4H15C16 (1)
Stoich.:	ABC4D15E16 (1)
Weight, g/mol:	419.151288
ΔH_f, kcal/mol:	44.12
Dipole, Da:	7.11
IP(EA), eV:	-8.81(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[4-amino-2-[3-(5-chloropyridin-3-yl)phenyl]-5-methylimidazol-2-yl]-1-ethyl-3-methylpyridin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=CNC1=O)C2(N=C(C(=N2)N)C)C3=CC(=CC=C3)Br

DOS

IR

Vibrations