Geometry & MOs

Info

ID:	421516
PubChem CID:	135116155
Reduced:	N2O2Cl3C16H17 (1)
Stoich.:	A2B2C3D16E17 (1)
Weight, g/mol:	322.104146
ΔH_f, kcal/mol:	-95.7
Dipole, Da:	6.13
IP(EA), eV:	-9.84(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-7-(trifluoromethyl)quinolin-4-amine

Drug info:

PubChemData

Smile

CN([C@@H]1C[C@@H]2CC(=O)NC[C@@H]2C1)C(=O)C3=C(C(=CC(=C3)Cl)Cl)Cl

DOS

IR

Vibrations