Geometry & MOs

Info

ID:	43825
PubChem CID:	10321847
Reduced:	N2O2C29H48 (1)
Stoich.:	A2B2C29D48 (1)
Weight, g/mol:	455.022217
ΔH_f, kcal/mol:	-144.34
Dipole, Da:	6.49
IP(EA), eV:	-8.32(0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-chlorophenyl)-2-(2,4-dichlorophenyl)-6-(trifluoromethyl)-1,2,3,4-tetrahydroquinoline

Drug info:

PubChemData

Smile

CCCCCCN1C[C@H]2[C@@H]3CC[C@@H]([C@]3(CC[C@@H]2[C@@]4(C1=CC(=O)CC4)C)C)C(=O)N(CC)CC

DOS

IR

Vibrations