Geometry & MOs

Info

ID:	221161
PubChem CID:	85257083
Reduced:	ClON2C16H17 (1)
Stoich.:	ABC2D16E17 (1)
Weight, g/mol:	253.134088
ΔH_f, kcal/mol:	11.67
Dipole, Da:	2.5
IP(EA), eV:	-8.5(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)C1=CC=[N+](C=C1)C(=O)C=CC2=CC=CC=C2.[Cl-]

DOS

IR

Vibrations