Geometry & MOs

Info

ID:	392996
PubChem CID:	135018847
Reduced:	N2O5H30C32 (1)
Stoich.:	A2B5C30D32 (1)
Weight, g/mol:	306.109025
ΔH_f, kcal/mol:	-126.98
Dipole, Da:	3.19
IP(EA), eV:	-8.54(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-deuterio-6-methoxy-4-phenyl-2-(trifluoromethyl)-2,4a-dihydroquinoline

Drug info:

PubChemData

Smile

CN1C[C@@H]2[C@H]([C@@H]1C3=C(C4=C(CC3)C=C(C=C4)OC)C5=CC=C(C=C5)C(=O)OC)C(=O)N(C2=O)C6=CC=CC=C6

DOS

IR

Vibrations