Geometry & MOs

Info

ID:	342604
PubChem CID:	127265764
Reduced:	ClON3C19H22 (1)
Stoich.:	ABC3D19E22 (1)
Weight, g/mol:	338.174276
ΔH_f, kcal/mol:	2.69
Dipole, Da:	2.9
IP(EA), eV:	-8.68(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-3-(3-hydroxyphenyl)prop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=C(C=CC2=C1N=C(C=C2)N3CCCN(CC3)C(=O)C4CC4)Cl

DOS

IR

Vibrations