Geometry & MOs

Info

ID:	27154
PubChem CID:	816742
Reduced:	OC6H7 (2)
Stoich.:	AB6C7 (2)
Weight, g/mol:	211.099714
ΔH_f, kcal/mol:	-57.5
Dipole, Da:	1.55
IP(EA), eV:	-9.59(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,4-dimethylphenyl)-pyridin-2-ylmethanone

Drug info:

PubChemData

Smile

CCOC(=O)[C@H]1C[C@@H]1C2=CC=CC=C2

DOS

IR

Vibrations