Geometry & MOs

Info

ID:	226329
PubChem CID:	87350420
Reduced:	PO3C22H45 (1)
Stoich.:	AB3C22D45 (1)
Weight, g/mol:	428.140389
ΔH_f, kcal/mol:	-270.15
Dipole, Da:	1.7
IP(EA), eV:	-9.48(1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(6-chloropyrazin-2-yl)phenyl]-N-[4-(2-methylpyridin-4-yl)phenyl]propanamide

Drug info:

PubChemData

Smile

CCCCCCCC/C=C\CCCCCCCCP(=O)(O)OCCCC

DOS

IR

Vibrations