Geometry & MOs

Info

ID:	185143
PubChem CID:	77261609
Reduced:	FNO4C33H40 (1)
Stoich.:	ABC4D33E40 (1)
Weight, g/mol:	427.171435
ΔH_f, kcal/mol:	-224.67
Dipole, Da:	3.54
IP(EA), eV:	-8.95(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[3-[1-(4-fluoronaphthalen-1-yl)ethylamino]cyclopentyl]phenyl]acetic acid;hydrochloride

Drug info:

PubChemData

Smile

CC(C)OC(=O)CC1=CC=C(C=C1)C2CCC(C2)N(C(C)C3=CC=C(C4=CC=CC=C43)F)C(=O)OC(C)(C)C

DOS

IR

Vibrations