Geometry & MOs

Info

ID:	24030
PubChem CID:	607485
Reduced:	ClON2H19C21 (1)
Stoich.:	ABC2D19E21 (1)
Weight, g/mol:	350.118591
ΔH_f, kcal/mol:	28.93
Dipole, Da:	3.47
IP(EA), eV:	-8.45(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-chlorophenyl)-3-[4-(pyridin-4-ylmethyl)anilino]propan-1-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC2=CC=NC=C2)NCCC(=O)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations