Geometry & MOs

Info

ID:	175430
PubChem CID:	75904986
Reduced:	Cl2O2N3C21H23 (1)
Stoich.:	A2B2C3D21E23 (1)
Weight, g/mol:	320.168877
ΔH_f, kcal/mol:	-71.52
Dipole, Da:	2.15
IP(EA), eV:	-9.29(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-fluoro-8-[[2-(3-methylphenyl)pyrrolidin-1-yl]methyl]quinoline

Drug info:

PubChemData

Smile

CC1CCCCN1C(=O)C2=C(C=C(C=C2)NCC(=O)NC3=CC(=CC=C3)Cl)Cl

DOS

IR

Vibrations