Geometry & MOs

Info

ID:	146253
PubChem CID:	53659387
Reduced:	N3O4C22H25 (1)
Stoich.:	A3B4C22D25 (1)
Weight, g/mol:	508.330108
ΔH_f, kcal/mol:	-107.59
Dipole, Da:	8.16
IP(EA), eV:	-8.65(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[4-(5-propanoyloxyhexyl)phenyl]pyrimidin-5-yl] dodec-2-enoate

Drug info:

PubChemData

Smile

CC(=O)NC1=CC(=CC=C1)N(CCC#N)CCC(=O)OCCOC2=CC=CC=C2

DOS

IR

Vibrations