Geometry & MOs

Info

ID:	185460
PubChem CID:	77302176
Reduced:	ClN2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	493.183142
ΔH_f, kcal/mol:	49.41
Dipole, Da:	5.94
IP(EA), eV:	-8.67(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1C(C2CCN1CC2)NC3=NN=C(C=C3)C4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations