Geometry & MOs

Info

ID:	85123
PubChem CID:	49871967
Reduced:	O2N3H17C18 (1)
Stoich.:	A2B3C17D18 (1)
Weight, g/mol:	541.260392
ΔH_f, kcal/mol:	-4.48
Dipole, Da:	5.66
IP(EA), eV:	-8.59(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(3,3-dimethylpyrrolidin-1-yl)-(4-fluorophenyl)methyl]-3-[4-(trifluoromethyl)phenyl]phenyl]-2-methylpentanoic acid

Drug info:

PubChemData

Smile

CC1=C(C=NC=C1)N2CCN(C2=O)C3=CC4=C(C=C3)OC=C4C

DOS

IR

Vibrations