Geometry & MOs

Info

ID:	160339
PubChem CID:	57309686
Reduced:	PN2O3C20H27 (1)
Stoich.:	AB2C3D20E27 (1)
Weight, g/mol:	572.397794
ΔH_f, kcal/mol:	-172.35
Dipole, Da:	1.62
IP(EA), eV:	-9.05(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-[(6S)-6-methyloctoxy]propyl] 2-[4-(4-octylphenyl)phenyl]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OP(=O)(N2CCNCC2)OC3=C(C=CC=C3C)C

DOS

IR

Vibrations