Geometry & MOs

Info

ID:	46754
PubChem CID:	10526984
Reduced:	FO3N6C22H23 (1)
Stoich.:	AB3C6D22E23 (1)
Weight, g/mol:	438.183109
ΔH_f, kcal/mol:	-81.16
Dipole, Da:	3.17
IP(EA), eV:	-8.35(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[3-[2-hydroxy-5-[2-[3-(2-hydroxyphenyl)phenyl]ethyl]phenyl]phenyl]acetate

Drug info:

PubChemData

Smile

CC(=O)NC[C@H]1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C4=C(C=CC=N4)C#N)F

DOS

IR

Vibrations