Geometry & MOs

Info

ID:	311554
PubChem CID:	126593798
Reduced:	ON3C8H17 (1)
Stoich.:	AB3C8D17 (1)
Weight, g/mol:	489.24277
ΔH_f, kcal/mol:	-49.09
Dipole, Da:	4.06
IP(EA), eV:	-8.37(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[4-(2-fluorophenyl)-5,7-dimethyl-2-(methylcarbamoyl)quinolin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

Drug info:

PubChemData

Smile

CCCCN/C(=C\NC)/C(=O)N

DOS

IR

Vibrations