Geometry & MOs

Info

ID:	449220
PubChem CID:	135296931
Reduced:	NO3C12H16 (2)
Stoich.:	AB3C12D16 (2)
Weight, g/mol:	344.109169
ΔH_f, kcal/mol:	-217.1
Dipole, Da:	17.8
IP(EA), eV:	-9.31(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-[(1R)-1-[(3-chloro-2-methylquinolin-4-yl)amino]ethyl]-4-fluorophenyl]methanol

Drug info:

PubChemData

Smile

CCC(C)(C)N1CC2=CC(=C(C=C2C3=CC(=O)C(=CN31)C(=O)O)COC)OCCCOC

DOS

IR

Vibrations