Geometry & MOs

Info

ID:	188041
PubChem CID:	77659170
Reduced:	Cl2F3O4N8C25H27 (1)
Stoich.:	A2B3C4D8E25F27 (1)
Weight, g/mol:	710.451954
ΔH_f, kcal/mol:	-242.14
Dipole, Da:	3.21
IP(EA), eV:	-9.26(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4,4-dimethyl-2,3-dihydro-1H-quinolin-7-yl)-4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-quinoline-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(C2C1CNC2)C3N(C4C(N3CC(=O)NC5=C(C=C(C=C5)Cl)Cl)N(C(=O)NC4=O)CC(F)(F)F)CC6=NC=CO6

DOS

IR

Vibrations