Geometry & MOs

Info

ID:	17177
PubChem CID:	486990
Reduced:	BrN2O2C17H19 (1)
Stoich.:	AB2C2D17E19 (1)
Weight, g/mol:	362.06299
ΔH_f, kcal/mol:	-44.38
Dipole, Da:	5.33
IP(EA), eV:	-8.82(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-bromobenzoyl)-3-(dimethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CCC1=C(NC(=O)C(=C1C(=O)C2=CC(=CC=C2)Br)N(C)C)C

DOS

IR

Vibrations