Geometry & MOs

Info

ID:	275835
PubChem CID:	103818245
Reduced:	BrClOF2N3C13H13 (1)
Stoich.:	ABCD2E3F13G13 (1)
Weight, g/mol:	301.179027
ΔH_f, kcal/mol:	-94.7
Dipole, Da:	4.15
IP(EA), eV:	-8.75(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[(8-methylquinolin-5-yl)amino]ethyl]carbamate

Drug info:

PubChemData

Smile

CCN1C=C(C=N1)CNC2=C(C(=CC(=C2)Cl)Br)OC(F)F

DOS

IR

Vibrations