Geometry & MOs

Info

ID:	187361
PubChem CID:	77563647
Reduced:	NO2C13H16 (2)
Stoich.:	AB2C13D16 (2)
Weight, g/mol:	542.208469
ΔH_f, kcal/mol:	-116.37
Dipole, Da:	11.52
IP(EA), eV:	-8.95(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-[[4-butyl-1-[(2-chlorophenyl)methyl]-2-methyl-6-oxopyrimidin-5-yl]methyl]-2-phenylphenyl]-1,2,4-oxadiazolidin-5-one

Drug info:

PubChemData

Smile

CCC1=C(C=C2CC(CC2=C1)NCCC3=CC=C(C4=NC(=O)C=CC34)O)CC.CC(=O)O

DOS

IR

Vibrations