Geometry & MOs

Info

ID:	143670
PubChem CID:	53246370
Reduced:	SN3O3C24H25 (1)
Stoich.:	AB3C3D24E25 (1)
Weight, g/mol:	439.150761
ΔH_f, kcal/mol:	-46.74
Dipole, Da:	8.8
IP(EA), eV:	-9.49(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9-methoxy-2-[4-[[4-(trifluoromethyl)phenyl]methyl]pyrazol-1-yl]-2,3-dihydro-1H-pyrano[2,3-c]quinoline

Drug info:

PubChemData

Smile

C1C[C@@H](N(C[C@@H]1C(=O)NCC2=CC=NC=C2)S(=O)(=O)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations