Geometry & MOs

Info

ID:	148747
PubChem CID:	53788416
Reduced:	N3O6C30H35 (1)
Stoich.:	A3B6C30D35 (1)
Weight, g/mol:	310.037227
ΔH_f, kcal/mol:	-178.47
Dipole, Da:	1.54
IP(EA), eV:	-9.55(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-6-(4-chlorophenyl)-2-(trifluoromethyl)-2H-chromene

Drug info:

PubChemData

Smile

C1CCOC(C1)COCCNC(=O)C2=COC(=N2)C3=CC=C(C=C3)C(=CCCCCC(=O)O)C4=CN=CC=C4

DOS

IR

Vibrations