Geometry & MOs

Info

ID:	221160
PubChem CID:	85257082
Reduced:	ClO2C17H17 (1)
Stoich.:	AB2C17D17 (1)
Weight, g/mol:	288.102941
ΔH_f, kcal/mol:	-32.52
Dipole, Da:	3.61
IP(EA), eV:	-8.47(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(dimethylamino)pyridin-1-ium-1-yl]-3-phenylprop-2-en-1-one;chloride

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C=CC2=C(C(=CC=C2)OC)OC)Cl

DOS

IR

Vibrations