Geometry & MOs

Info

ID:	376084
PubChem CID:	134222087
Reduced:	NF2P4O43C47H91 (1)
Stoich.:	AB2C4D43E47F91 (1)
Weight, g/mol:	375.183444
ΔH_f, kcal/mol:	-2325.21
Dipole, Da:	11.31
IP(EA), eV:	-8.97(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-[2-(4-ethylphenoxy)ethyl]pyridin-3-yl]ethyl benzoate

Drug info:

Smile

COC1C(C(OC1OCC(C(C(COP(=O)(O)OC2C(OC(C2OC)OCC(C(C(COP(=O)(O)OC3C(OC(C3F)OCC(C(C(COP(=O)(O)OC4C(OC(C4F)OCC(C(C(COP(=O)(O)OCCCCCN)O)O)O)CO)O)O)O)CO)O)O)O)CO)O)O)O)CO)O

DOS

IR

Vibrations