Geometry & MOs

Info

ID:	207702
PubChem CID:	80440166
Reduced:	ON3C16H21 (1)
Stoich.:	AB3C16D21 (1)
Weight, g/mol:	211.076392
ΔH_f, kcal/mol:	-5.4
Dipole, Da:	3.54
IP(EA), eV:	-9.1(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloropyridin-2-yl)-4-methylpentan-2-one

Drug info:

PubChemData

Smile

CC(C)CC1=CC(=NC(=N1)C2=CC=CC(=C2)COC)N

DOS

IR

Vibrations