Geometry & MOs

Info

ID:	181968
PubChem CID:	76822004
Reduced:	ClFNO2C16H21 (1)
Stoich.:	ABCD2E16F21 (1)
Weight, g/mol:	483.278487
ΔH_f, kcal/mol:	-162.96
Dipole, Da:	0.26
IP(EA), eV:	-9.54(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-[2-[1-[3-[2-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]-2-hydroxypropoxy]ethyl]-5-methylphenyl]prop-2-enoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCCC1CC2=CC(=CC(=C2)Cl)F

DOS

IR

Vibrations