Geometry & MOs

Info

ID:	77627
PubChem CID:	49658470
Reduced:	N3O3C22H23 (1)
Stoich.:	A3B3C22D23 (1)
Weight, g/mol:	376.103477
ΔH_f, kcal/mol:	-77.13
Dipole, Da:	6.69
IP(EA), eV:	-8.49(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-oxo-4-[[3-(trifluoromethyl)phenyl]methylamino]-1H-quinoline-3-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=C(C2=CC=CC=C2NC1=O)NCCN3CCCC4=CC=CC=C43

DOS

IR

Vibrations