Geometry & MOs

Info

ID:	326088
PubChem CID:	126686406
Reduced:	NCl3O5H24C31 (1)
Stoich.:	AB3C5D24E31 (1)
Weight, g/mol:	241.146664
ΔH_f, kcal/mol:	-136.03
Dipole, Da:	4.29
IP(EA), eV:	-9.19(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(1-phenylpentyl)-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CCN(C1=C(C=C(C=C1)C2=CC=CC=C2Cl)Cl)C(=O)C3=CC=C(C=C3)OC4=C(C=C5C(CCOC5=C4)C(=O)O)Cl

DOS

IR

Vibrations