Geometry & MOs

Info

ID:	49497
PubChem CID:	11533121
Reduced:	Cl2O2N4H22C25 (1)
Stoich.:	A2B2C4D22E25 (1)
Weight, g/mol:	481.14134
ΔH_f, kcal/mol:	17.58
Dipole, Da:	8.87
IP(EA), eV:	-8.7(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3-fluorophenyl)methyl]-N-(2-oxo-3,4-dihydro-1H-quinolin-7-yl)-5-(trifluoromethyl)indole-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)N2C=C(N=N2)CCO)C(=O)C3=C(C=C(C=C3)NC4=CC(=C(C=C4)Cl)Cl)C

DOS

IR

Vibrations