Geometry & MOs

Info

ID:	161668
PubChem CID:	57392289
Reduced:	FN7C22H28 (1)
Stoich.:	AB7C22D28 (1)
Weight, g/mol:	451.213442
ΔH_f, kcal/mol:	22.36
Dipole, Da:	3.88
IP(EA), eV:	-8.24(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[1-[(3R)-3-fluoropyrrolidin-1-yl]-4-methylpentyl]-3-[4-(trifluoromethyl)phenyl]phenyl]acetic acid

Drug info:

PubChemData

Smile

C1CCC(C1)N2C3=NC(=NC=C3N=C2NC4=CC=CC=C4F)NC5CCC(CC5)N

DOS

IR

Vibrations