Geometry & MOs

Info

ID:	378068
PubChem CID:	134224137
Reduced:	ClNO4H16C23 (1)
Stoich.:	ABC4D16E23 (1)
Weight, g/mol:	412.241373
ΔH_f, kcal/mol:	-72.12
Dipole, Da:	7.14
IP(EA), eV:	-9.2(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-fluoro-4-[4-[[2-(1-hydroxyethenyl)phenyl]methyl]-5-methylheptyl]benzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(=O)C2=C(N(C3=CC=CC=C32)C4=CC(=CC=C4)Cl)C(=O)O

DOS

IR

Vibrations