Geometry & MOs

Info

ID:	185458
PubChem CID:	77302036
Reduced:	FON4C20H25 (1)
Stoich.:	ABC4D20E25 (1)
Weight, g/mol:	509.218921
ΔH_f, kcal/mol:	-41.1
Dipole, Da:	3.45
IP(EA), eV:	-8.53(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-[1-[3-[2-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-1-yl]-2-hydroxypropoxy]ethyl]-5-(trifluoromethyl)phenyl]prop-2-enoic acid

Drug info:

PubChemData

Smile

CC1C(C2CCN1CC2)NC3=NC=C(C=N3)C4=C(C=C(C(=C4)OC)C)F

DOS

IR

Vibrations