Geometry & MOs

Info

ID:	161972
PubChem CID:	57393207
Reduced:	NOC12H14 (2)
Stoich.:	ABC12D14 (2)
Weight, g/mol:	452.313789
ΔH_f, kcal/mol:	-42.08
Dipole, Da:	6.4
IP(EA), eV:	-8.51(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dihydroxypropan-2-yl 11-(2-hexyl-5-hydroxyphenoxy)undecanoate

Drug info:

PubChemData

Smile

C[C@@H]1CCCN1CCCOC2=CC=C(C=C2)C3=CN(C(=O)C4=CC=CC=C43)C

DOS

IR

Vibrations